data_2miz_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 2miz _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 ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.784 0.326 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -63.06 137.13 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.266 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.49 18.01 23.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.85 130.84 6.88 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -96.49 150.15 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.24 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -115.89 142.95 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -123.52 158.7 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 130.91 9.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -127.18 135.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.218 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -82.17 117.32 67.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.8 159.4 38.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.708 1.605 . . . . 0.0 111.178 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -121.5 153.67 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.242 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 86.1 m -83.32 131.91 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.11 112.6 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.44 117.48 35.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.4 133.63 51.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -98.56 120.99 39.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -62.72 128.31 35.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 tp -122.53 109.4 32.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -57.04 144.63 89.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.727 1.618 . . . . 0.0 111.17 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.24 82.68 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 54' ' ' VAL . 61.6 t -104.76 117.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -97.04 70.17 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 52' ' ' VAL . 16.4 m -133.07 165.28 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -70.45 83.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.73 157.93 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -121.91 155.02 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -127.28 136.21 51.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -116.89 127.73 54.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -103.77 133.8 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -125.06 123.26 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -84.08 122.17 28.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.0 t -120.37 134.29 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.437 HG23 HG23 ' A' ' 140' ' ' VAL . 54.8 t -108.85 113.38 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.61 -42.49 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.83 -28.39 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.8 -14.2 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 61.37 45.41 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.53 -168.66 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.1 p -146.89 164.3 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 66.7 t -83.29 136.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 -176.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -71.88 74.01 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.7 p 179.49 144.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.53 142.39 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 176.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 t -113.06 131.93 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -113.92 133.45 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -170.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -118.84 159.54 23.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.91 138.54 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -130.73 -172.37 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.438 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.4 p -163.69 171.97 5.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.5 Cg_exo -51.44 -28.74 28.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.704 1.603 . . . . 0.0 111.203 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -110.3 -32.82 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t -96.33 145.6 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.2 156.28 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.16 123.02 12.76 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.66 1.573 . . . . 0.0 111.19 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -135.37 152.38 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.01 117.53 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 tp -88.99 -57.24 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -167.81 173.88 7.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.47 132.03 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.19 134.4 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 143.63 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -171.704 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 76.1 mt -81.17 141.82 33.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 -175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -105.72 164.37 11.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.89 -41.65 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.88 -15.32 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -84.23 -4.15 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.38 32.12 5.31 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.33 88.2 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 0.0 111.254 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -112.95 108.43 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.7 t -81.75 131.72 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.73 115.63 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -111.11 24.9 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -96.34 138.94 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.7 p -94.28 -5.23 47.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.41 -32.14 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.3 -40.51 97.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.63 -6.98 77.63 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.95 24.37 12.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.27 136.2 49.68 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.92 -24.23 21.92 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.64 147.66 39.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.05 124.77 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -91.71 119.55 31.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.417 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 99.2 t -101.37 122.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.81 154.41 55.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -67.45 -17.04 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.07 -24.29 63.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.206 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.08 147.19 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.5 m -63.59 126.69 28.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -72.86 -27.48 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.54 -41.09 99.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.1 p -74.46 -30.41 61.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.92 93.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.84 -17.84 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p -95.72 7.27 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.437 HG23 HG23 ' A' ' 64' ' ' VAL . 74.2 t -71.57 132.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.08 155.36 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.7 120.99 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -96.52 119.97 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 59.7 tp -108.93 123.01 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -109.89 118.02 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 170.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.09 118.52 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 73.9 m -123.28 92.27 49.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -71.02 146.01 51.31 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.736 1.624 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.06 169.55 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.43 -168.65 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.45 -8.68 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -97.71 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.19 -17.37 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.12 -18.71 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.55 133.46 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.1 p -118.75 5.83 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.48 152.65 12.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.9 155.93 57.15 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.613 . . . . 0.0 111.2 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -90.19 -177.98 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -57.04 -47.27 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.17 -50.72 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -64.11 -42.11 96.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.1 -39.25 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.99 -28.15 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.9 mtm -93.84 5.88 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 93.3 p -63.67 -25.61 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.28 -25.36 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.66 -39.31 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.08 -24.51 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.22 15.24 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.1 156.71 51.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.93 143.29 92.45 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.716 1.61 . . . . 0.0 111.18 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.17 140.23 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -162.46 112.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.008 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t -63.87 137.32 57.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.72 17.93 23.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 131.95 7.34 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -97.49 149.96 21.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 0.0 111.2 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -115.92 142.39 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -117.67 112.94 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.24 158.08 28.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.49 128.98 8.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.6 mt -127.68 133.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -82.14 118.61 72.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -75.89 158.06 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -122.03 157.29 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.547 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -84.9 127.46 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -104.28 115.41 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -100.76 126.8 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -112.01 129.92 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.196 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -97.1 116.73 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.9 m -63.61 127.42 31.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -119.99 110.05 36.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -55.55 139.66 82.74 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.704 1.603 . . . . 0.0 111.235 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -75.89 81.73 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.81 110.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -88.56 75.46 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.73 166.9 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -71.12 82.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.62 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -123.24 155.36 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -125.87 137.93 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -117.09 121.9 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.223 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.73 131.89 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.216 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -126.9 127.95 45.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -87.41 107.91 18.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.59 135.43 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -171.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.0 t -108.74 113.83 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.5 t -70.27 -43.27 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -171.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.36 -27.75 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -174.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.81 -13.12 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 61.7 44.94 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.34 -167.38 2.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.8 p -148.26 164.19 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 95.1 t -79.08 135.31 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 65.9 t0 -70.42 74.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.6 p -179.27 143.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.1 p -118.13 142.1 47.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -111.65 131.27 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -113.06 133.8 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -170.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 170.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -143.29 138.69 29.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.4 p -132.09 -173.43 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.241 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 16.8 p -156.41 172.08 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 90.2 Cg_exo -51.15 -27.46 22.41 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.739 1.626 . . . . 0.0 111.18 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.72 -33.51 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -95.88 138.77 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -75.69 158.93 82.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -56.08 122.53 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.668 1.579 . . . . 0.0 111.218 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.31 150.56 50.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.06 117.42 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.1 tp -87.35 -58.23 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -168.76 174.37 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -171.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.34 22.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -131.07 135.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 142.46 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -171.211 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.5 mt -80.65 141.69 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -105.48 164.18 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.0 -40.95 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.65 -17.21 62.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -75.93 -16.78 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.12 36.69 0.85 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.53 139.61 42.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -151.77 110.87 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.27 133.69 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.91 113.98 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -108.8 23.56 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.68 139.35 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -94.4 -4.55 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.56 -32.16 12.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -62.74 -41.42 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.81 77.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -112.15 23.29 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 111.202 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.05 135.89 48.64 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 109.23 -24.97 19.58 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.48 146.73 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.266 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.1 tp -101.3 125.2 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -92.59 125.53 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.72 125.29 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.256 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -91.91 155.35 43.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.197 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.88 -16.06 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 0.0 111.226 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.86 -24.21 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.65 146.24 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.8 m -64.15 125.5 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -73.17 -27.68 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.231 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.54 -35.86 92.6 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -79.78 -33.66 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.22 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.37 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.87 -20.85 66.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.408 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 97.2 p -105.75 17.59 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -173.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.26 127.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -134.78 155.17 51.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 49.1 t -99.94 119.07 37.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -97.81 121.38 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.37 120.8 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.215 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -104.83 115.85 31.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.0 ttp -104.57 117.71 34.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 80.5 m -122.57 91.8 49.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 -176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -70.86 146.08 52.45 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.709 1.606 . . . . 0.0 111.172 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -113.33 169.29 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.04 -168.71 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.0 p -123.39 -8.07 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -98.93 108.81 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.11 -17.4 64.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.03 -18.52 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.69 133.68 35.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.0 p -118.93 5.87 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.69 152.56 11.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.87 155.85 57.37 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.685 1.59 . . . . 0.0 111.18 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -90.58 -177.97 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.87 -47.11 81.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -54.38 -50.48 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.61 -39.12 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.81 -43.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.02 -31.72 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -91.98 6.89 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.1 p -63.37 -25.36 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.181 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 91.9 t -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.205 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.38 -25.2 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.08 5.74 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.4 mt -80.9 154.83 73.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.02 142.44 94.06 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.696 1.598 . . . . 0.0 111.191 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.08 142.52 36.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -162.11 113.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.979 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.681 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -73.28 132.82 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.87 32.23 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.95 -167.89 24.36 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 t -163.35 135.47 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -105.96 156.17 18.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 -175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.42 112.5 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.16 146.83 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.8 110.71 4.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.24 134.28 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -90.56 115.25 63.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -57.92 144.21 94.52 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.743 1.629 . . . . 0.0 111.248 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -101.92 125.26 48.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 179.283 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.7 m -108.54 137.8 45.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.08 119.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.17 116.16 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.2 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -104.63 131.69 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.68 118.31 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -62.91 130.87 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 tp -137.02 112.12 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.234 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.37 135.8 66.85 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -79.91 75.83 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.1 t -99.93 119.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.89 74.91 8.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.217 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.16 165.57 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -71.51 84.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.67 161.3 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -137.35 157.48 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 25.8 m-90 -127.03 137.79 53.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 -172.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 110.71 20.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.7 mp -95.78 109.61 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -175.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 83.5 tt0 -95.38 119.42 33.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -85.91 106.22 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.23 135.77 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.455 HG23 HG23 ' A' ' 140' ' ' VAL . 60.4 t -111.44 112.37 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 69.2 t -69.46 -41.24 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -173.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -59.21 -36.85 76.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -96.55 -13.98 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.73 46.49 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -154.07 -169.97 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.6 m -134.83 166.11 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 73' ' ' VAL . 65.4 t -81.18 145.32 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -79.11 11.46 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -168.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.402 ' H ' HG12 ' A' ' 71' ' ' VAL . 7.6 p -148.52 136.28 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.8 p -108.03 168.75 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -108.49 119.21 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -106.04 123.74 48.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -112.87 158.37 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.223 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -146.78 135.86 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.9 t -117.57 -169.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 28.8 t -163.09 153.01 13.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -49.16 -28.43 14.39 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.605 . . . . 0.0 111.24 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -125.69 36.76 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 47.3 t -168.18 142.56 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 172.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -74.15 161.02 80.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -56.73 127.37 25.61 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.721 1.614 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.33 147.08 51.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.65 118.91 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.76 -51.04 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.15 160.49 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.89 143.18 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.2 mt -119.53 123.14 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.71 146.3 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.544 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.0 137.56 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.226 -171.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.43 165.44 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.15 -38.88 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.84 -16.86 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.74 -3.1 58.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.81 19.97 30.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.07 98.43 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -126.03 123.06 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.0 128.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -72.52 114.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.21 14.45 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.23 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -99.2 151.04 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.219 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -110.1 3.4 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 172.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.47 -30.95 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.66 -39.64 92.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.7 56.86 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -99.59 19.4 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.88 118.24 10.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.53 -18.07 41.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -82.0 154.77 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.7 tp -101.93 123.21 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -84.71 133.32 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.31 118.86 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 173.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.52 163.6 16.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.231 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.02 -27.77 47.01 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.698 1.599 . . . . 0.0 111.161 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.252 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.42 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.5 m -66.45 134.21 52.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.4 p -75.06 -30.54 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -173.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.11 -40.32 96.85 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.6 m -64.93 -41.89 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.219 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.39 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.95 -13.29 61.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.401 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.8 p -105.99 13.62 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.455 HG23 HG23 ' A' ' 64' ' ' VAL . 77.6 t -73.52 131.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -132.79 145.94 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 44.0 t -99.92 112.49 24.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 68.4 ttt180 -88.78 106.99 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.7 tp -93.54 99.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 79.4 ttt180 -89.36 106.75 18.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.3 ttp -104.73 107.47 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.08 100.63 44.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.24 145.33 38.66 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.699 1.6 . . . . 0.0 111.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -124.15 160.93 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -153.36 -168.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.9 p -122.3 -8.92 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -90.0 101.94 14.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -67.16 -15.79 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.35 -19.02 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.1 mtp -82.49 136.63 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.22 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.5 p -113.6 1.86 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -165.59 156.04 11.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.55 144.6 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.705 1.603 . . . . 0.0 111.188 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -89.1 -178.5 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -48.88 70.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -54.14 -50.52 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.6 mtp -63.24 -44.19 95.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.8 -38.57 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.89 -47.66 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.54 -30.22 69.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 97.2 mtp -94.35 4.9 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 92.8 p -59.74 -30.14 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -173.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -48.89 77.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.09 -30.24 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.9 -29.37 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -90.69 21.68 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.6 154.17 44.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.45 144.3 92.16 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.662 1.575 . . . . 0.0 111.164 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.3 152.07 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -87.83 93.38 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.192 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -66.07 133.27 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.4 mt -104.38 18.49 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.82 171.78 26.52 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.02 143.79 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -112.89 143.91 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -119.11 110.3 16.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -122.73 160.63 25.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.79 133.26 11.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -123.03 132.9 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -80.41 114.16 45.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.53 160.83 34.85 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.707 1.604 . . . . 0.0 111.201 -175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -109.61 127.96 54.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -179.63 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -111.63 157.99 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.22 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.5 t -111.84 125.2 69.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.93 113.98 27.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.73 134.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.78 91.7 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.6 m -69.69 128.3 35.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 78.4 mt -109.0 137.42 20.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 76.9 Cg_exo -58.12 144.54 94.93 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.666 1.578 . . . . 0.0 111.211 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -77.01 82.78 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 HG23 ' A' ' 54' ' ' VAL . 65.0 t -107.38 111.26 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -91.32 74.73 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 HG23 HG12 ' A' ' 52' ' ' VAL . 21.6 m -135.23 167.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.13 82.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.28 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -125.81 147.26 49.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -121.85 136.0 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -116.27 126.88 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -106.21 134.75 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -130.09 128.43 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 168.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -86.96 124.27 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -117.22 133.51 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 140' ' ' VAL . 47.4 t -106.92 108.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.198 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.2 -41.29 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -60.18 -38.39 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.407 ' H ' HG12 ' A' ' 64' ' ' VAL . 97.9 mt -93.93 -12.58 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 61.88 46.19 6.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.74 -167.06 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -147.56 168.96 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.409 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 87.3 t -86.4 144.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -80.71 45.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.68 134.91 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.5 p -111.03 135.62 51.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 170.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.7 t -113.18 130.55 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -117.34 159.21 23.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -145.78 139.67 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.1 t -134.8 -169.15 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.445 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 13.0 p -166.88 173.09 3.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.5 Cg_exo -51.77 -29.59 34.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.73 1.62 . . . . 0.0 111.212 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.88 -31.16 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.6 t -97.07 144.86 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.83 155.79 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.27 121.2 9.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.647 1.565 . . . . 0.0 111.21 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -133.7 149.73 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.1 116.86 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.34 -56.74 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.207 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -166.35 170.05 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.75 136.45 40.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -130.98 136.73 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.5 138.1 57.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -173.287 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.0 mt -68.33 138.75 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.49 176.02 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.24 -29.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -61.73 -21.33 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -96.83 -1.56 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.72 18.66 47.12 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.04 104.53 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.232 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -131.2 119.09 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.7 135.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.56 112.96 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -102.84 15.66 28.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -94.89 146.18 24.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 p -95.34 -9.44 32.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -98.01 -31.24 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.06 -40.94 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.67 -13.25 59.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.58 17.0 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.57 118.45 10.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -173.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.63 -18.25 32.46 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.51 158.96 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.8 tp -103.39 127.82 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 -169.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -89.48 131.89 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -106.98 164.06 15.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.94 -26.46 49.05 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.705 1.604 . . . . 0.0 111.206 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.68 142.01 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.6 m -64.22 135.63 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.49 -44.05 88.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.78 96.84 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.5 m -59.58 -42.82 93.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.43 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.85 -18.96 62.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.1 p -94.08 6.98 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 64' ' ' VAL . 76.1 t -73.24 134.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.88 153.39 51.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.0 t -100.08 119.24 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.22 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -96.58 121.62 38.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.231 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.24 125.7 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -109.84 115.6 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.3 ttp -102.91 113.86 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.6 m -120.8 88.41 43.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.56 151.43 75.29 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -145.04 162.84 35.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -142.39 -177.17 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.9 p -106.7 -8.43 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -81.97 104.99 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.236 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -66.99 -16.05 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.16 2.1 56.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 60.2 ttm -103.2 127.47 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 78.9 p -117.11 6.07 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -160.98 152.39 16.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.3 152.49 61.25 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.717 1.611 . . . . 0.0 111.189 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -91.45 -178.36 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -47.0 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -54.08 -51.1 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -63.63 -43.25 97.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -38.97 92.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.04 -43.94 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.36 -30.35 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.68 4.29 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.2 p -63.3 -25.33 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -26.28 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.76 -39.96 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.0 mt -64.44 -27.77 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -175.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -85.16 4.93 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.0 mt -81.57 153.63 70.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.89 142.13 96.27 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.695 1.597 . . . . 0.0 111.2 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -76.98 141.28 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -155.06 126.81 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.051 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.834 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -75.0 134.06 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -108.37 31.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -172.51 24.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.7 t -163.29 136.5 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -106.96 150.73 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -123.53 114.71 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 174' ' ' ASN . 73.8 mmtt -120.68 163.5 17.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.87 126.15 7.69 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mm -113.27 131.92 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -82.3 114.69 53.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.46 141.2 94.96 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.691 1.594 . . . . 0.0 111.167 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.8 m -102.35 119.74 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.8 m -99.73 137.63 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.8 t -99.14 117.71 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.65 111.46 23.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.88 128.43 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -100.49 115.44 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -65.41 129.76 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.7 tp -134.56 111.37 11.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -54.7 136.09 69.81 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.689 1.593 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.41 74.93 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.9 123.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.93 75.59 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.88 162.71 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -72.14 82.4 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.27 159.11 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -122.01 156.26 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 -128.4 138.38 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -117.21 127.68 54.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -107.98 113.75 27.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -107.28 122.79 47.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -86.06 106.65 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.14 132.67 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 67' ' ' LEU . 63.5 t -106.6 121.71 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -174.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.78 -48.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.51 -26.91 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.438 ' H ' HG12 ' A' ' 64' ' ' VAL . 95.0 mt -96.63 -18.44 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.49 46.15 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.33 -168.9 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t -145.21 149.55 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.486 HG12 ' H ' ' A' ' 73' ' ' VAL . 95.8 t -72.63 140.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -79.7 8.39 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -166.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.486 ' H ' HG12 ' A' ' 71' ' ' VAL . 95.5 t -129.08 135.14 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 171.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.2 p -115.93 157.18 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 175.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -110.97 129.75 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -110.34 132.74 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -117.76 159.29 23.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -144.72 137.66 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.8 t -133.18 -168.7 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -163.15 172.43 5.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.9 Cg_exo -52.14 -28.31 32.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.663 1.575 . . . . 0.0 111.224 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.91 -31.28 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.4 t -97.48 145.05 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -171.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.05 154.45 72.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.09 124.0 15.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.685 1.59 . . . . 0.0 111.21 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -133.99 150.41 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.98 116.86 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 tp -83.97 -58.05 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -174.13 157.58 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.15 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 90.5 mt -131.67 138.52 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.36 140.86 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -179.121 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.78 131.64 35.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -106.45 165.02 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.51 -39.89 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.39 -17.13 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.75 -2.86 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.08 20.62 25.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -124.24 96.02 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -120.3 125.31 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -174.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.15 127.86 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -73.14 115.09 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 -174.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.18 16.15 26.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 t -98.39 147.62 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.0 p -102.45 -2.57 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 172.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -97.87 -30.7 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.87 -39.68 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.86 57.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.79 19.97 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.803 0.335 . . . . 0.0 111.18 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.08 117.84 9.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 107.45 -20.12 32.94 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -87.36 164.66 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -172.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -107.58 128.57 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -171.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -91.01 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 174.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.3 t -108.04 115.48 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -100.41 164.45 16.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.5 -28.71 46.13 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.699 1.599 . . . . 0.0 111.201 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.48 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.76 143.45 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.479 ' O ' ' OG ' ' A' ' 136' ' ' SER . 91.1 m -73.76 131.91 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -69.76 -26.56 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' ' 133' ' ' THR . . . -65.66 -24.18 71.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 133' ' ' THR . 97.4 p -83.37 -34.55 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 175.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.73 -24.11 22.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.1 p -103.38 -5.0 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 7.5 p -68.65 144.27 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.88 150.57 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.279 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.6 t -94.36 112.01 23.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -85.28 113.16 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 tp -97.08 111.09 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -106.76 114.77 29.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.9 ttp -110.53 115.33 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 64.2 m -118.12 96.6 49.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.68 140.02 91.58 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.715 1.61 . . . . 0.0 111.208 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -121.46 161.05 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 13.4 t -152.65 160.7 43.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.0 p -88.17 -13.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 173.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -92.65 98.21 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.208 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -69.64 -13.9 62.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -172.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.93 -20.91 60.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -76.43 141.4 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.2 p -115.81 -0.26 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.76 153.6 14.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.87 154.99 63.07 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.706 1.604 . . . . 0.0 111.169 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -92.36 -177.49 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -46.97 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -54.69 -51.73 64.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.94 -49.17 75.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.64 -38.88 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.68 -46.55 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.87 -31.55 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.3 mtm -89.03 5.35 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 91.1 p -63.53 -24.32 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.35 -25.59 68.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.15 -41.37 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.187 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.83 -27.75 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -91.12 15.74 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.95 153.61 41.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -54.95 134.33 62.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.663 1.576 . . . . 0.0 111.207 174.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . 0.44 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 28.1 p30 -84.08 165.78 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.234 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -154.25 129.7 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.975 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.4 t -69.4 133.69 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.03 26.18 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.26 168.63 42.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 146' ' ' MET . 74.8 m -129.9 147.74 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 111.2 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -115.69 144.58 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -121.76 110.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -123.51 163.8 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 -173.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.44 136.09 12.96 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.6 mt -119.59 135.04 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.174 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -85.39 113.1 48.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 52.5 Cg_exo -60.92 148.59 92.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.1 m -101.25 124.62 47.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.264 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.769 0.318 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.7 m -97.2 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.15 114.16 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -102.54 112.67 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.27 127.82 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -90.21 103.88 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.0 m -57.81 125.27 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -116.37 102.96 53.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -57.39 145.52 87.54 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.721 1.614 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -76.1 85.45 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.32 115.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -95.1 68.95 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.7 145.35 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -67.02 83.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.41 162.84 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -114.53 153.96 29.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 30.8 m-90 -130.4 139.85 50.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -115.15 132.93 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 75' ' ' SER . 59.2 mt -113.35 122.22 46.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -114.8 126.1 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.22 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -90.17 124.31 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.39 154.97 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 140' ' ' VAL . 47.5 t -123.55 114.42 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.0 t -70.03 -46.66 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -170.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.39 -32.1 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.2 mt -94.14 -17.43 22.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 61.68 48.87 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.6 p -130.22 174.69 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -150.61 142.86 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 73' ' ' VAL . 79.8 t -77.19 126.47 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -78.92 1.52 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -167.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' H ' HG12 ' A' ' 71' ' ' VAL . 76.2 t -105.93 119.07 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 168.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.9 p -107.97 153.0 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 20.4 t -110.31 132.18 54.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 -171.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -116.48 139.21 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -148.64 157.95 43.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -136.58 160.18 39.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.183 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 t -138.23 -169.59 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.5 p -165.99 171.19 5.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 96.7 Cg_exo -52.13 -29.35 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.39 -32.63 7.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -97.32 140.53 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.56 157.02 77.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.31 123.76 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.638 1.559 . . . . 0.0 111.218 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -136.74 140.35 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.52 129.92 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 tp -99.9 -60.82 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -172.61 158.06 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.21 142.49 41.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -132.89 140.89 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.99 139.7 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -176.005 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 74.6 mt -108.56 141.6 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -107.74 162.6 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.57 -38.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.15 -15.54 63.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -87.44 -3.41 59.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.43 20.81 26.19 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.57 98.5 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.33 125.72 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.15 128.84 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -68.04 115.57 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -106.84 25.4 11.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -101.52 146.19 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -99.12 -5.78 29.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.18 -30.47 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -61.92 -39.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.46 -13.8 61.14 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -109.66 25.65 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.16 135.21 51.92 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.92 -16.0 60.01 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.06 159.43 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.184 -174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.32 129.41 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -95.5 130.02 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.3 t -108.07 115.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -100.48 163.99 17.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.55 -28.51 45.8 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.712 1.608 . . . . 0.0 111.205 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.38 -31.95 72.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.239 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.94 146.37 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.6 m -56.83 124.33 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -69.58 -46.21 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.57 -33.47 81.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.6 p -68.05 -19.45 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.198 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.91 69.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -77.94 -8.48 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.439 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 93.4 p -111.4 10.77 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 64' ' ' VAL . 90.9 t -74.61 134.59 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.66 153.7 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.67 115.52 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -90.25 131.74 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.7 tp -112.68 125.72 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 76.8 ttt180 -117.64 119.39 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 66.0 ttp -106.95 125.78 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.19 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.7 m -128.2 91.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.44 140.44 94.58 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.727 1.618 . . . . 0.0 111.184 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.59 145.09 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.9 t -136.51 -174.52 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.8 p -115.98 -5.12 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -87.67 103.75 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.227 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -66.88 -16.22 64.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -91.38 0.32 57.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 59.9 ttm -103.99 127.29 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 74.9 p -117.17 7.92 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -161.14 151.18 14.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.87 156.42 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.216 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.8 p30 -92.41 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.12 -47.6 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -54.42 -50.08 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.48 -44.56 96.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.18 -37.91 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.31 -43.31 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.55 -23.19 60.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -95.67 6.19 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 170' ' ' LEU . 87.2 p -64.08 -20.46 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.07 -28.22 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.66 -24.38 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 167' ' ' SER . 83.1 mt -69.84 -24.06 63.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.92 18.11 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.209 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.03 155.62 49.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.12 142.84 97.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.659 1.573 . . . . 0.0 111.222 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.01 121.87 27.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -139.87 136.17 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.017 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.066 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.845 0.355 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -64.18 134.19 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.61 15.57 28.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 161.12 22.19 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.5 m -123.76 147.15 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -117.08 143.37 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -121.45 109.5 14.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -122.69 159.88 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.26 133.14 11.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -120.49 131.29 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.181 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -80.92 113.65 42.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.54 159.74 32.07 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.176 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -110.81 128.46 55.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -179.739 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.5 p -112.2 158.0 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.1 t -111.84 124.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.32 112.88 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.98 134.02 44.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.6 t -103.61 96.16 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.3 m -65.3 127.07 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -108.6 128.53 25.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.67 143.02 90.79 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.702 1.601 . . . . 0.0 111.213 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -72.77 78.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.82 114.16 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.45 71.66 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -133.64 145.73 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.16 83.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.42 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.6 t -102.28 119.27 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 12.5 m0 -102.35 124.09 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.1 m -118.48 126.29 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.81 135.12 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -130.52 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -86.38 124.78 33.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.25 135.41 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -172.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 140' ' ' VAL . 48.9 t -108.33 113.08 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.9 -43.66 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.38 -30.31 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.69 -14.42 23.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 61.6 45.82 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -153.41 -167.65 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.51 174.16 11.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 63.4 t -88.46 143.11 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 55.4 t0 -76.99 67.39 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -171.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 13.4 p 178.59 144.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -115.46 143.48 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 t -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -112.25 130.52 55.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -172.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.421 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 26.3 m-85 -115.67 142.52 46.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -106.64 135.93 47.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -142.66 164.86 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.8 p -160.54 173.74 4.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.2 Cg_exo -51.8 -28.66 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.698 1.598 . . . . 0.0 111.228 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.71 -30.92 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -95.78 137.85 34.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -171.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.24 156.45 69.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.41 117.06 3.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.667 1.578 . . . . 0.0 111.226 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -132.69 145.16 50.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.5 117.24 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.0 tp -91.91 -55.9 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -166.79 170.22 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.225 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.67 135.39 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.1 mt -130.58 134.99 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.229 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.47 135.85 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -172.013 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.335 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -69.84 136.04 50.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -117.4 174.32 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -175.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.1 t -56.39 -38.49 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.48 -20.98 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.35 -1.73 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.54 17.23 42.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -122.26 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.205 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -126.81 119.71 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.96 130.69 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.41 114.87 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.233 -175.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -103.01 15.81 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -96.17 146.85 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 65.7 p -95.9 -9.15 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.175 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -97.82 -30.91 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.61 -40.29 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.21 57.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -99.26 16.18 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.74 118.46 10.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.45 32.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.31 157.82 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 111.183 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -103.05 127.19 50.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -88.66 132.64 34.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 171.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.1 t -111.52 121.63 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.9 163.8 16.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.74 -26.43 47.21 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.21 -30.12 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.33 142.34 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.3 m -63.68 134.32 55.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.92 -44.04 86.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.15 96.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -59.73 -42.52 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.197 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.11 80.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.23 -20.31 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.5 p -95.97 11.3 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 64' ' ' VAL . 76.4 t -75.45 133.93 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.5 152.47 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.3 t -99.98 116.97 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -96.72 121.94 39.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.18 123.07 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -105.93 116.45 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 67.4 ttp -109.89 111.36 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 82.8 m -118.58 86.06 28.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -174.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 57.7 Cg_endo -64.26 143.16 82.6 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.721 1.614 . . . . 0.0 111.185 173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -147.12 164.37 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.4 t -144.35 -174.95 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.2 p -108.22 -8.51 15.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -85.29 108.24 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.5 p -67.93 -14.06 62.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.97 -4.83 57.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 96.8 mtp -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -117.19 5.95 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.06 153.61 15.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.37 153.99 61.08 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.693 1.595 . . . . 0.0 111.206 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -91.52 -178.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.9 -47.61 80.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -54.43 -50.19 68.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.5 -38.81 91.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.91 -26.26 63.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.2 mtm -92.96 4.31 54.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 86.8 p -63.93 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.44 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.49 -40.06 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.162 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.86 -26.45 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -92.06 16.49 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.29 155.65 44.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.71 141.34 95.53 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.709 1.606 . . . . 0.0 111.218 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.83 141.17 42.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -153.64 122.81 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.963 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -62.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.04 18.42 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.13 131.31 7.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 146' ' ' MET . 71.0 m -97.33 150.14 21.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.174 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -116.21 142.96 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -117.99 113.56 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.75 160.11 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.4 129.37 8.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -127.14 134.71 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -84.96 111.17 33.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.99 158.78 42.05 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.72 1.613 . . . . 0.0 111.22 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 p -119.99 156.12 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 178.498 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.796 0.332 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.6 m -84.92 129.11 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.7 t -103.35 117.45 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.79 133.61 46.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.222 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -121.41 126.64 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.4 116.97 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -63.07 127.8 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 tp -117.17 112.02 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.96 144.41 89.31 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.715 1.61 . . . . 0.0 111.245 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -75.5 83.06 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 54' ' ' VAL . 64.6 t -105.13 118.08 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -97.55 70.43 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 52' ' ' VAL . 16.5 m -133.02 165.06 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 172.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -70.61 82.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.34 159.87 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -122.29 153.41 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -126.9 137.22 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -117.04 127.58 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -103.57 134.45 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -126.94 128.14 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 172.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -88.38 107.46 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.28 132.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -171.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 140' ' ' VAL . 48.6 t -104.83 113.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.5 -43.81 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -67.49 -27.53 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 -174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.35 -12.85 22.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 61.7 45.04 8.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -154.53 -167.36 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.3 p -147.71 163.65 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 97.7 t -80.66 136.58 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 66.0 t0 -70.96 74.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -173.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.2 p 179.55 143.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 173.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.1 p -121.0 147.25 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 t -113.33 131.76 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -110.18 134.68 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -172.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -121.86 156.0 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -141.6 139.98 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.4 t -131.96 -171.46 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.441 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.2 p -164.55 172.08 5.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.4 Cg_exo -51.25 -28.91 27.76 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.653 1.569 . . . . 0.0 111.248 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -110.27 -32.77 6.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -96.25 145.99 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.11 156.3 60.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.17 122.75 12.26 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.598 . . . . 0.0 111.16 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -135.12 152.47 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -58.07 117.74 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.2 tp -89.73 -57.01 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -167.31 172.68 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -171.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.35 135.27 35.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -132.62 136.03 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -173.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.56 150.0 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.18 -173.456 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.9 mt -80.79 141.59 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -176.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -105.54 164.65 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.6 t -55.97 -40.76 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.68 -17.19 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -75.64 -16.93 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.04 36.58 0.87 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.61 139.24 41.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 111.22 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -151.55 111.18 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.31 134.19 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.27 113.91 7.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.69 25.33 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.89 139.45 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 p -94.52 -3.98 48.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 173.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -96.85 -32.27 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.25 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.17 -41.81 99.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.88 -6.78 76.9 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -111.99 23.15 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.02 136.24 48.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.37 -25.55 15.36 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.82 146.76 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 111.255 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.26 124.76 48.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -93.55 125.98 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.0 t -106.95 124.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -88.06 155.78 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.09 -16.77 53.44 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.735 1.623 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.56 -24.76 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.99 146.41 28.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -64.48 125.62 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.5 p -74.51 -26.64 60.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.54 -33.77 88.11 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.8 p -81.21 -32.51 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.6 83.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.03 -13.21 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.3 p -103.77 13.03 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 64' ' ' VAL . 79.7 t -74.43 130.4 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.39 154.98 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 46.8 t -101.71 120.77 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -98.09 123.06 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -107.47 122.23 46.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -174.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -107.38 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 65.8 ttp -105.19 118.26 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 77.0 m -122.99 92.39 49.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.02 145.99 51.27 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.733 1.622 . . . . 0.0 111.178 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -113.9 168.66 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.18 -168.79 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 169.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.2 -9.05 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -96.98 109.04 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -17.32 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.47 -18.23 60.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.8 mtp -81.52 133.87 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.9 p -118.87 5.56 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.46 152.66 12.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.68 155.68 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.716 1.611 . . . . 0.0 111.211 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -90.54 -178.07 5.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.84 -47.24 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.23 -50.69 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.02 -42.2 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.15 -39.32 92.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.63 -43.34 84.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -28.05 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.71 6.58 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -63.56 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -26.52 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.91 -39.51 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.92 -25.45 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.3 6.02 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.51 154.54 71.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.93 143.36 92.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -79.06 141.66 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -162.14 113.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -56.32 135.95 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.02 16.82 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 159.0 20.08 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.48 145.72 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.212 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -115.58 143.64 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -118.22 112.28 19.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -174.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.89 158.07 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.95 131.12 9.58 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.2 mt -127.97 134.24 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -84.24 115.66 61.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.257 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.69 157.14 56.28 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.746 1.631 . . . . 0.0 111.204 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -124.98 163.82 21.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.243 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.447 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 80.2 m -84.28 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.05 117.17 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -101.95 133.19 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -140.76 132.3 27.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -99.64 152.12 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.0 m -90.08 119.36 30.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.09 114.1 65.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.75 132.71 47.59 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.712 1.608 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.09 76.75 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.234 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -96.17 119.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.21 76.52 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.25 167.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.05 82.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.23 154.52 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -122.93 156.52 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 173.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 31.2 m-90 -126.09 138.23 53.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.23 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -119.99 123.41 43.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' C ' HD21 ' A' ' 60' ' ' LEU . 8.5 tt -111.7 119.87 40.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 87.6 tt0 -106.61 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -81.83 105.51 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.95 137.71 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -171.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.55 112.58 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 70.3 t -68.69 -42.54 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.219 -170.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.67 -27.61 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -93.58 -15.03 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.65 43.77 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.51 -167.48 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.7 p -148.46 168.24 23.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.28 141.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -73.3 70.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -172.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p 177.52 144.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 176.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.1 p -118.03 143.82 46.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 t -106.9 124.91 50.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -103.56 137.63 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 32.7 m-85 -127.79 152.79 47.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -141.66 138.48 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.6 p -130.91 -175.9 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.449 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.4 p -160.08 173.1 5.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 95.2 Cg_exo -52.03 -28.14 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.696 1.597 . . . . 0.0 111.188 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.4 -31.37 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -99.15 141.87 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 -171.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -80.92 156.13 72.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.94 123.24 13.3 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.667 1.578 . . . . 0.0 111.175 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.2 154.62 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.56 116.83 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.4 tp -88.54 -57.95 2.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.83 167.7 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.44 133.08 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.48 135.51 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.18 140.27 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -169.532 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.855 0.359 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.85 142.3 31.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -108.68 164.72 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.92 -39.93 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.25 -15.65 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.39 -4.16 59.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.72 18.18 30.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.86 98.44 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -125.81 124.57 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.62 132.47 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.15 112.99 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -102.97 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.21 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t -94.69 143.71 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -99.11 -4.98 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -97.49 -30.83 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.25 -38.59 89.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.92 -13.23 65.29 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -109.28 24.88 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 111.219 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.45 136.57 50.57 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 102.39 -20.87 43.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.81 153.01 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 111.181 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -101.6 126.1 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -89.45 126.0 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.447 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 87.1 t -106.51 119.45 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 177.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -89.07 155.33 49.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.59 -18.06 53.6 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.631 1.554 . . . . 0.0 111.206 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.24 -24.4 63.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.95 148.48 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -65.35 130.88 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -76.22 -28.82 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.94 92.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -66.95 -43.25 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.198 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.23 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -21.82 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.415 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.5 p -106.95 17.79 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -173.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.4 t -74.43 129.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 175.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.97 155.07 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 82.3 m -96.82 119.94 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 67.4 ttt180 -92.12 105.45 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.217 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.47 118.26 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -169.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -104.85 116.02 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.8 ttp -105.03 119.27 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.99 86.45 56.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.84 147.81 79.05 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.679 1.586 . . . . 0.0 111.233 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -145.07 163.35 34.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.01 -168.82 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.6 p -114.79 -11.06 12.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -84.48 101.94 12.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.2 p -67.83 -14.65 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.89 -18.4 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.17 135.89 35.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.3 p -114.65 1.37 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 173.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -166.03 154.62 10.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.62 153.15 69.94 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.688 1.592 . . . . 0.0 111.213 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -91.19 -178.79 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.62 -47.61 79.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.245 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -54.41 -50.0 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.64 -44.1 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.17 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.22 -44.11 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.39 -30.72 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -92.59 5.97 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.7 p -62.93 -25.97 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.05 -26.63 68.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.71 -39.76 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.1 mt -66.74 -24.65 66.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -174.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -90.26 12.06 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.43 155.4 62.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.88 141.46 93.09 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.193 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.85 142.36 36.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -162.16 113.61 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 174.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -176.603 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -59.57 133.98 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.7 mt -109.19 26.38 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.26 173.13 28.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.66 147.56 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.18 145.48 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.55 112.92 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -123.59 160.2 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.25 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.17 133.38 11.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -122.99 132.24 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -81.09 113.8 43.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.38 159.6 36.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.61 . . . . 0.0 111.184 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -108.66 127.78 54.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.41 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.339 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -112.12 158.8 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.8 125.82 69.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.6 111.74 24.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -98.23 128.92 44.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -172.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -103.77 92.6 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.1 m -71.58 128.82 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -110.0 139.7 21.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -58.76 149.0 80.29 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.705 1.603 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -74.5 81.11 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.6 t -101.8 114.5 41.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.2 68.87 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.48 149.72 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.41 82.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.72 154.29 37.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 t -108.62 142.83 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -122.27 131.65 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.229 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -117.29 127.72 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.78 131.63 50.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -127.72 126.1 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.01 123.77 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.6 134.44 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.485 HG23 HG23 ' A' ' 140' ' ' VAL . 48.4 t -107.36 113.59 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.62 -43.26 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.7 -29.76 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.7 mt -97.05 -14.32 21.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 61.43 46.1 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -153.75 -168.06 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.98 172.11 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.401 HG12 HG12 ' A' ' 73' ' ' VAL . 64.6 t -87.16 143.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 51.4 t0 -78.04 64.63 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -170.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 11.6 p 178.25 143.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.2 p -118.14 149.28 41.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 t -114.23 132.78 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.02 134.12 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -119.74 152.37 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -139.86 141.98 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.183 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -138.04 -171.24 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.441 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -168.34 172.17 3.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.5 Cg_exo -51.44 -29.22 30.39 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.72 1.614 . . . . 0.0 111.18 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -108.99 -31.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.9 t -98.18 143.93 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.37 157.57 53.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.88 121.33 9.66 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.665 1.577 . . . . 0.0 111.213 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.79 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -57.83 116.8 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 tp -89.19 -58.71 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -164.66 164.66 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -172.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 133.35 48.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 172.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.47 133.38 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.0 136.22 56.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -171.85 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.36 137.26 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 -174.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -117.94 174.34 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -56.66 -38.18 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.7 -21.09 60.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -92.13 -1.96 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.8 17.59 40.75 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.79 99.76 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -128.05 120.39 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.9 131.37 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.7 116.85 8.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -106.83 20.46 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -99.15 146.65 25.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.2 p -95.23 -9.42 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -97.89 -31.44 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.51 -40.42 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.17 -13.21 60.32 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.03 13.92 31.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.207 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.68 118.07 10.0 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.75 -20.43 24.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -91.02 157.83 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.186 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.3 tp -102.37 127.38 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.207 -170.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 171.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.34 121.65 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -107.17 163.71 16.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.43 -27.01 47.13 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.47 -30.88 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.53 142.49 34.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.0 m -64.36 134.28 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.9 m -65.13 -44.37 88.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.83 -45.36 95.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -59.75 -42.18 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.07 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.19 -21.17 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.5 p -93.93 8.84 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.245 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.485 HG23 HG23 ' A' ' 64' ' ' VAL . 79.4 t -73.7 133.75 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.62 153.31 51.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.5 t -100.49 117.57 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -95.76 122.81 38.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.9 tp -107.08 123.01 47.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -107.71 115.79 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.76 114.8 29.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.8 m -121.75 89.13 47.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.54 151.38 79.8 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.709 1.606 . . . . 0.0 111.196 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -145.6 162.42 37.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.225 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.3 t -142.99 -174.2 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.8 p -107.13 -11.9 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -86.5 106.7 17.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -67.57 -15.31 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.8 -14.78 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -84.88 134.38 34.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.9 p -116.47 4.34 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.44 153.55 14.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -70.02 152.16 67.84 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.735 1.623 . . . . 0.0 111.156 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -90.7 -178.12 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.73 -47.97 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.73 -50.33 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -39.07 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.17 -43.39 87.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.07 -22.98 60.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 73.7 mtm -97.28 6.02 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -64.15 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -173.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.2 -26.27 68.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.208 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 83.1 t -91.94 -39.64 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.53 -26.17 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.248 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.97 5.69 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.1 mt -81.04 154.87 72.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.98 141.24 93.86 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.682 1.588 . . . . 0.0 111.194 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.78 137.99 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -162.03 113.43 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -77.44 87.61 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -63.06 137.13 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.266 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.49 18.01 23.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.85 130.84 6.88 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -96.49 150.15 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.24 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -115.89 142.95 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -123.52 158.7 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 130.91 9.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -127.18 135.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.218 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -82.17 117.32 67.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.8 159.4 38.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.708 1.605 . . . . 0.0 111.178 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -121.5 153.67 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.242 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -89.95 126.59 35.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -97.9 121.15 58.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.222 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.4 132.4 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.683 1.588 . . . . 0.0 111.182 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -163.15 151.15 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.9 p -75.88 -13.07 60.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.66 132.37 95.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -53.2 -34.36 68.96 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.717 1.611 . . . . 0.0 111.172 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -79.9 142.62 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 86.1 m -83.32 131.91 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.11 112.6 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.44 117.48 35.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.4 133.63 51.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -98.56 120.99 39.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -62.72 128.31 35.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 tp -122.53 109.4 32.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -57.04 144.63 89.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.727 1.618 . . . . 0.0 111.17 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.24 82.68 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 54' ' ' VAL . 61.6 t -104.76 117.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -97.04 70.17 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 52' ' ' VAL . 16.4 m -133.07 165.28 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -70.45 83.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.73 157.93 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -121.91 155.02 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -127.28 136.21 51.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -116.89 127.73 54.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -103.77 133.8 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -125.06 123.26 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -84.08 122.17 28.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.0 t -120.37 134.29 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.437 HG23 HG23 ' A' ' 140' ' ' VAL . 54.8 t -108.85 113.38 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.61 -42.49 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.83 -28.39 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.8 -14.2 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 61.37 45.41 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.53 -168.66 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.1 p -146.89 164.3 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 66.7 t -83.29 136.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 -176.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -71.88 74.01 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.7 p 179.49 144.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.53 142.39 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 176.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 t -113.06 131.93 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -113.92 133.45 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -170.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -118.84 159.54 23.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.91 138.54 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -130.73 -172.37 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.438 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.4 p -163.69 171.97 5.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.5 Cg_exo -51.44 -28.74 28.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.704 1.603 . . . . 0.0 111.203 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -110.3 -32.82 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t -96.33 145.6 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.2 156.28 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.16 123.02 12.76 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.66 1.573 . . . . 0.0 111.19 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -135.37 152.38 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.01 117.53 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 tp -88.99 -57.24 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -167.81 173.88 7.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.47 132.03 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.19 134.4 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 143.63 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -81.6 71.6 8.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -171.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.46 -48.29 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.254 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -145.63 143.32 19.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.11 150.07 53.33 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.673 1.582 . . . . 0.0 111.18 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.5 mmm -103.38 -1.94 27.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.88 67.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.38 -143.35 16.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.4 mt -111.92 160.07 17.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -142.25 -84.85 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p 55.67 33.41 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.2 164.02 13.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -70.91 83.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.23 148.82 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 76.1 mt -81.17 141.82 33.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 -175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -105.72 164.37 11.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.89 -41.65 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.88 -15.32 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -84.23 -4.15 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.38 32.12 5.31 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.33 88.2 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 0.0 111.254 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -112.95 108.43 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.7 t -81.75 131.72 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.73 115.63 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -111.11 24.9 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -96.34 138.94 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.7 p -94.28 -5.23 47.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.41 -32.14 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.3 -40.51 97.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.63 -6.98 77.63 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.95 24.37 12.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.27 136.2 49.68 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.92 -24.23 21.92 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.64 147.66 39.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.05 124.77 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -91.71 119.55 31.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.417 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 99.2 t -101.37 122.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.81 154.41 55.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -67.45 -17.04 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.07 -24.29 63.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.206 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.08 147.19 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.5 m -63.59 126.69 28.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -72.86 -27.48 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.54 -41.09 99.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.1 p -74.46 -30.41 61.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.92 93.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.84 -17.84 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p -95.72 7.27 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.437 HG23 HG23 ' A' ' 64' ' ' VAL . 74.2 t -71.57 132.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.08 155.36 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.7 120.99 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -96.52 119.97 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 59.7 tp -108.93 123.01 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -109.89 118.02 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 170.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.09 118.52 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 73.9 m -123.28 92.27 49.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -71.02 146.01 51.31 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.736 1.624 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.06 169.55 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.43 -168.65 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.45 -8.68 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -97.71 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.19 -17.37 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.12 -18.71 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.55 133.46 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.1 p -118.75 5.83 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.48 152.65 12.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.9 155.93 57.15 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.613 . . . . 0.0 111.2 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -90.19 -177.98 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -57.04 -47.27 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.17 -50.72 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -64.11 -42.11 96.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.1 -39.25 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.99 -28.15 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.9 mtm -93.84 5.88 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 93.3 p -63.67 -25.61 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.28 -25.36 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.66 -39.31 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.08 -24.51 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.22 15.24 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.1 156.71 51.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.93 143.29 92.45 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.716 1.61 . . . . 0.0 111.18 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.17 140.23 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -162.46 112.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.008 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -77.52 87.29 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t -63.87 137.32 57.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.72 17.93 23.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 131.95 7.34 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -97.49 149.96 21.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 0.0 111.2 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -115.92 142.39 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -117.67 112.94 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.24 158.08 28.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.49 128.98 8.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.6 mt -127.68 133.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -82.14 118.61 72.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -75.89 158.06 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -122.03 157.29 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.0 126.81 33.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.02 121.3 68.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.34 126.89 23.7 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.718 1.612 . . . . 0.0 111.153 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -165.92 150.5 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.3 p -78.92 -10.47 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.77 131.1 94.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.73 -34.06 72.86 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.736 1.624 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -78.03 144.38 36.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -84.9 127.46 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -104.28 115.41 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -100.76 126.8 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -112.01 129.92 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.196 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -97.1 116.73 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.9 m -63.61 127.42 31.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -119.99 110.05 36.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -55.55 139.66 82.74 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.704 1.603 . . . . 0.0 111.235 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -75.89 81.73 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.81 110.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -88.56 75.46 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.73 166.9 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -71.12 82.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.62 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -123.24 155.36 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -125.87 137.93 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -117.09 121.9 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.223 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.73 131.89 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.216 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -126.9 127.95 45.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -87.41 107.91 18.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.59 135.43 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -171.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.0 t -108.74 113.83 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.5 t -70.27 -43.27 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -171.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.36 -27.75 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -174.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.81 -13.12 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 61.7 44.94 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.34 -167.38 2.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.8 p -148.26 164.19 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.406 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 95.1 t -79.08 135.31 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 65.9 t0 -70.42 74.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.407 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.6 p -179.27 143.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.1 p -118.13 142.1 47.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -111.65 131.27 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -113.06 133.8 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -170.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 170.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -143.29 138.69 29.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.4 p -132.09 -173.43 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.241 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 16.8 p -156.41 172.08 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.457 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 90.2 Cg_exo -51.15 -27.46 22.41 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.739 1.626 . . . . 0.0 111.18 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.72 -33.51 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -95.88 138.77 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -75.69 158.93 82.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -56.08 122.53 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.668 1.579 . . . . 0.0 111.218 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.31 150.56 50.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.06 117.42 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.1 tp -87.35 -58.23 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -168.76 174.37 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -171.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.34 22.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -131.07 135.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 142.46 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -82.14 69.94 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -171.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -66.71 -49.5 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -138.98 142.84 34.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 -176.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.41 158.25 40.68 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.653 1.569 . . . . 0.0 111.224 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.1 mmm -108.62 12.34 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -133.58 47.27 2.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.42 -116.23 5.5 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -114.28 161.24 18.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -174.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.449 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 68.4 ttp85 -141.9 -84.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p 55.66 33.5 21.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.449 ' H ' ' HG2' ' A' ' 101' ' ' ARG . 99.3 mttt -94.83 150.85 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 -175.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -72.91 84.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.92 153.66 30.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.5 mt -80.65 141.69 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -105.48 164.18 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.0 -40.95 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.65 -17.21 62.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -75.93 -16.78 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.12 36.69 0.85 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.53 139.61 42.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -151.77 110.87 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.27 133.69 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.91 113.98 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -108.8 23.56 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.68 139.35 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -94.4 -4.55 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.56 -32.16 12.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -62.74 -41.42 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.81 77.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -112.15 23.29 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 111.202 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.05 135.89 48.64 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 109.23 -24.97 19.58 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.48 146.73 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.266 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.1 tp -101.3 125.2 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -92.59 125.53 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.72 125.29 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.256 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -91.91 155.35 43.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.197 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.88 -16.06 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 0.0 111.226 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.86 -24.21 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.65 146.24 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.8 m -64.15 125.5 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -73.17 -27.68 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.231 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.54 -35.86 92.6 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -79.78 -33.66 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.22 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.37 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.87 -20.85 66.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.408 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 97.2 p -105.75 17.59 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -173.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.26 127.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -134.78 155.17 51.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 49.1 t -99.94 119.07 37.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -97.81 121.38 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.37 120.8 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.215 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -104.83 115.85 31.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.0 ttp -104.57 117.71 34.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 80.5 m -122.57 91.8 49.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 -176.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -70.86 146.08 52.45 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.709 1.606 . . . . 0.0 111.172 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -113.33 169.29 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.04 -168.71 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.0 p -123.39 -8.07 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -98.93 108.81 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.11 -17.4 64.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.03 -18.52 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.69 133.68 35.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.0 p -118.93 5.87 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.69 152.56 11.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.87 155.85 57.37 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.685 1.59 . . . . 0.0 111.18 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -90.58 -177.97 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.87 -47.11 81.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -54.38 -50.48 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.61 -39.12 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.81 -43.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.02 -31.72 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -91.98 6.89 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.1 p -63.37 -25.36 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.181 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 91.9 t -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.205 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.38 -25.2 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.08 5.74 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.4 mt -80.9 154.83 73.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.02 142.44 94.06 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.696 1.598 . . . . 0.0 111.191 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.08 142.52 36.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -162.11 113.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.979 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.681 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -96.73 123.69 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -73.28 132.82 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.87 32.23 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.95 -167.89 24.36 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 t -163.35 135.47 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -105.96 156.17 18.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 -175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.42 112.5 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.16 146.83 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.8 110.71 4.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.24 134.28 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -90.56 115.25 63.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -57.92 144.21 94.52 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.743 1.629 . . . . 0.0 111.248 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -101.92 125.26 48.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -78.01 117.42 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 44' ' ' VAL . 90.2 t -113.08 125.71 29.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.4 155.79 45.81 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.211 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -156.84 154.44 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.5 p -69.53 -17.42 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.76 154.5 91.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.8 61.32 6.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.665 1.577 . . . . 0.0 111.244 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -174.87 154.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.7 m -108.54 137.8 45.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 81.3 t -100.08 119.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.17 116.16 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.2 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -104.63 131.69 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.68 118.31 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -62.91 130.87 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 tp -137.02 112.12 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.234 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.37 135.8 66.85 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -79.91 75.83 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.1 t -99.93 119.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.89 74.91 8.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.217 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.16 165.57 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -71.51 84.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.67 161.3 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -137.35 157.48 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 25.8 m-90 -127.03 137.79 53.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 -172.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 110.71 20.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.7 mp -95.78 109.61 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -175.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 83.5 tt0 -95.38 119.42 33.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -85.91 106.22 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.23 135.77 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.455 HG23 HG23 ' A' ' 140' ' ' VAL . 60.4 t -111.44 112.37 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 69.2 t -69.46 -41.24 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -173.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -59.21 -36.85 76.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.3 mt -96.55 -13.98 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.73 46.49 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -154.07 -169.97 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.6 m -134.83 166.11 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 ' H ' ' A' ' 73' ' ' VAL . 65.4 t -81.18 145.32 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -79.11 11.46 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -168.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.402 ' H ' HG12 ' A' ' 71' ' ' VAL . 7.6 p -148.52 136.28 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.8 p -108.03 168.75 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -108.49 119.21 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -106.04 123.74 48.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -112.87 158.37 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.223 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -146.78 135.86 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.9 t -117.57 -169.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 28.8 t -163.09 153.01 13.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -49.16 -28.43 14.39 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.605 . . . . 0.0 111.24 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -125.69 36.76 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.467 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 47.3 t -168.18 142.56 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 172.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -74.15 161.02 80.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -56.73 127.37 25.61 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.721 1.614 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.33 147.08 51.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.65 118.91 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.76 -51.04 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.15 160.49 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.89 143.18 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.2 mt -119.53 123.14 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.71 146.3 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -102.52 31.55 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -79.49 -34.49 41.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' A' ' 96' ' ' PRO . 90.3 m -130.23 100.83 18.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -178.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 95' ' ' THR . 98.6 Cg_endo -71.79 -177.36 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.676 1.584 . . . . 0.0 111.231 174.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.6 mmm -78.06 -9.41 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -130.42 67.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.1 -151.04 19.39 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 88.3 mt -106.42 154.16 21.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.232 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -73.72 117.37 15.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.7 p -103.8 -12.86 16.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.19 134.88 54.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -70.85 84.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.234 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.07 157.71 16.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.0 137.56 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.226 -171.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.43 165.44 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.15 -38.88 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.84 -16.86 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.74 -3.1 58.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.81 19.97 30.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.07 98.43 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -126.03 123.06 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.0 128.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -72.52 114.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.21 14.45 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.23 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -99.2 151.04 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.219 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -110.1 3.4 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 172.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.47 -30.95 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.66 -39.64 92.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.7 56.86 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -99.59 19.4 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.88 118.24 10.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.53 -18.07 41.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -82.0 154.77 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.7 tp -101.93 123.21 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -84.71 133.32 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.31 118.86 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 173.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.52 163.6 16.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.231 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.02 -27.77 47.01 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.698 1.599 . . . . 0.0 111.161 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.252 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.42 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.5 m -66.45 134.21 52.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.4 p -75.06 -30.54 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -173.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.11 -40.32 96.85 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.6 m -64.93 -41.89 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.219 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.39 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.95 -13.29 61.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.401 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.8 p -105.99 13.62 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.455 HG23 HG23 ' A' ' 64' ' ' VAL . 77.6 t -73.52 131.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -132.79 145.94 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 44.0 t -99.92 112.49 24.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.464 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 68.4 ttt180 -88.78 106.99 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.7 tp -93.54 99.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 79.4 ttt180 -89.36 106.75 18.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.3 ttp -104.73 107.47 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 79.8 m -110.08 100.63 44.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.24 145.33 38.66 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.699 1.6 . . . . 0.0 111.167 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -124.15 160.93 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -153.36 -168.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.9 p -122.3 -8.92 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -90.0 101.94 14.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -67.16 -15.79 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.35 -19.02 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.1 mtp -82.49 136.63 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.22 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.5 p -113.6 1.86 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -165.59 156.04 11.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.55 144.6 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.705 1.603 . . . . 0.0 111.188 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -89.1 -178.5 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -48.88 70.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -54.14 -50.52 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.6 mtp -63.24 -44.19 95.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.8 -38.57 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.89 -47.66 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.54 -30.22 69.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 97.2 mtp -94.35 4.9 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 92.8 p -59.74 -30.14 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -173.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -48.89 77.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.09 -30.24 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.9 -29.37 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -90.69 21.68 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.6 154.17 44.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.45 144.3 92.16 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.662 1.575 . . . . 0.0 111.164 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.3 152.07 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -87.83 93.38 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.192 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.778 0.323 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.77 120.64 37.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -66.07 133.27 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.4 mt -104.38 18.49 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.82 171.78 26.52 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.02 143.79 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -112.89 143.91 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -119.11 110.3 16.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -122.73 160.63 25.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.79 133.26 11.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -123.03 132.9 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -80.41 114.16 45.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.53 160.83 34.85 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.707 1.604 . . . . 0.0 111.201 -175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -109.61 127.96 54.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -88.23 124.08 33.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.75 127.59 26.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.15 156.72 46.81 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.718 1.612 . . . . 0.0 111.205 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -152.93 154.78 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -70.21 -17.73 63.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.39 158.46 87.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.27 60.8 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.714 1.609 . . . . 0.0 111.159 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 178.53 148.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -171.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -111.63 157.99 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.22 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.5 t -111.84 125.2 69.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.93 113.98 27.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.73 134.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.78 91.7 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.6 m -69.69 128.3 35.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 78.4 mt -109.0 137.42 20.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 76.9 Cg_exo -58.12 144.54 94.93 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.666 1.578 . . . . 0.0 111.211 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -77.01 82.78 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.44 HG12 HG23 ' A' ' 54' ' ' VAL . 65.0 t -107.38 111.26 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -91.32 74.73 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 HG23 HG12 ' A' ' 52' ' ' VAL . 21.6 m -135.23 167.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.13 82.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.28 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -125.81 147.26 49.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -121.85 136.0 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -116.27 126.88 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -106.21 134.75 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -130.09 128.43 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 168.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -86.96 124.27 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -117.22 133.51 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 140' ' ' VAL . 47.4 t -106.92 108.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.198 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.2 -41.29 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -60.18 -38.39 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.407 ' H ' HG12 ' A' ' 64' ' ' VAL . 97.9 mt -93.93 -12.58 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 61.88 46.19 6.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.74 -167.06 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -147.56 168.96 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.409 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 87.3 t -86.4 144.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -80.71 45.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.68 134.91 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.5 p -111.03 135.62 51.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 170.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.7 t -113.18 130.55 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -117.34 159.21 23.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -145.78 139.67 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.1 t -134.8 -169.15 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.445 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 13.0 p -166.88 173.09 3.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.5 Cg_exo -51.77 -29.59 34.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.73 1.62 . . . . 0.0 111.212 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.88 -31.16 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.6 t -97.07 144.86 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.83 155.79 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.27 121.2 9.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.647 1.565 . . . . 0.0 111.21 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -133.7 149.73 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.1 116.86 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.34 -56.74 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.207 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -166.35 170.05 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.75 136.45 40.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -130.98 136.73 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.5 138.1 57.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -79.24 77.37 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -80.65 -28.4 36.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.24 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.8 m -123.94 116.9 27.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.237 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.99 174.75 12.34 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.689 1.593 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.7 -24.3 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.225 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.66 64.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.88 -118.28 6.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.21 158.9 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -118.34 153.95 33.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.9 p -112.98 -23.33 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.09 155.7 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -98.03 143.72 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.61 175.25 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.0 mt -68.33 138.75 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.49 176.02 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.24 -29.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -61.73 -21.33 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -96.83 -1.56 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.72 18.66 47.12 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.04 104.53 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.232 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -131.2 119.09 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.7 135.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.56 112.96 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -102.84 15.66 28.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -94.89 146.18 24.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 p -95.34 -9.44 32.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -98.01 -31.24 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -174.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.06 -40.94 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.67 -13.25 59.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.58 17.0 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.57 118.45 10.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -173.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.63 -18.25 32.46 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.51 158.96 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.8 tp -103.39 127.82 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 -169.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -89.48 131.89 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -106.98 164.06 15.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.94 -26.46 49.05 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.705 1.604 . . . . 0.0 111.206 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.68 142.01 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.6 m -64.22 135.63 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.49 -44.05 88.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.78 96.84 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.5 m -59.58 -42.82 93.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.43 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.85 -18.96 62.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.1 p -94.08 6.98 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.467 HG23 HG23 ' A' ' 64' ' ' VAL . 76.1 t -73.24 134.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.88 153.39 51.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.0 t -100.08 119.24 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.22 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -96.58 121.62 38.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.231 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.24 125.7 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -109.84 115.6 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.3 ttp -102.91 113.86 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.6 m -120.8 88.41 43.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.56 151.43 75.29 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -145.04 162.84 35.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -142.39 -177.17 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.9 p -106.7 -8.43 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -81.97 104.99 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.236 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -66.99 -16.05 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.16 2.1 56.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 60.2 ttm -103.2 127.47 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 78.9 p -117.11 6.07 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -160.98 152.39 16.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.3 152.49 61.25 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.717 1.611 . . . . 0.0 111.189 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -91.45 -178.36 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -47.0 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -54.08 -51.1 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -63.63 -43.25 97.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -38.97 92.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.04 -43.94 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.36 -30.35 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.68 4.29 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.2 p -63.3 -25.33 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -26.28 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.76 -39.96 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.0 mt -64.44 -27.77 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -175.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -85.16 4.93 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.0 mt -81.57 153.63 70.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.89 142.13 96.27 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.695 1.597 . . . . 0.0 111.2 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -76.98 141.28 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -155.06 126.81 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.051 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -99.19 128.52 45.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -75.0 134.06 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -108.37 31.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -172.51 24.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.7 t -163.29 136.5 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -106.96 150.73 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -123.53 114.71 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 174' ' ' ASN . 73.8 mmtt -120.68 163.5 17.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.87 126.15 7.69 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.5 mm -113.27 131.92 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -82.3 114.69 53.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.46 141.2 94.96 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.691 1.594 . . . . 0.0 111.167 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.8 m -102.35 119.74 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -78.72 116.59 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 44' ' ' VAL . 86.4 t -114.29 126.64 27.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -177.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.17 154.14 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.707 1.604 . . . . 0.0 111.181 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -154.73 153.47 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.242 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -69.85 -16.84 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.28 154.2 92.08 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.93 64.0 6.8 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.704 1.603 . . . . 0.0 111.196 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 179.93 148.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.223 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.8 m -99.73 137.63 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 76.8 t -99.14 117.71 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -177.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.65 111.46 23.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.88 128.43 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -100.49 115.44 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -65.41 129.76 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.7 tp -134.56 111.37 11.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -54.7 136.09 69.81 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.689 1.593 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.41 74.93 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.9 123.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.93 75.59 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.88 162.71 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -72.14 82.4 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.27 159.11 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -122.01 156.26 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 -128.4 138.38 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -117.21 127.68 54.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -107.98 113.75 27.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -107.28 122.79 47.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -86.06 106.65 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.14 132.67 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.438 HG12 ' H ' ' A' ' 67' ' ' LEU . 63.5 t -106.6 121.71 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -174.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.78 -48.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.51 -26.91 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.438 ' H ' HG12 ' A' ' 64' ' ' VAL . 95.0 mt -96.63 -18.44 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.49 46.15 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.33 -168.9 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t -145.21 149.55 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.486 HG12 ' H ' ' A' ' 73' ' ' VAL . 95.8 t -72.63 140.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -79.7 8.39 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -166.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.486 ' H ' HG12 ' A' ' 71' ' ' VAL . 95.5 t -129.08 135.14 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 171.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.2 p -115.93 157.18 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 175.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -110.97 129.75 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -110.34 132.74 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -117.76 159.29 23.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -144.72 137.66 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.8 t -133.18 -168.7 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.447 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -163.15 172.43 5.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.9 Cg_exo -52.14 -28.31 32.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.663 1.575 . . . . 0.0 111.224 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.91 -31.28 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.4 t -97.48 145.05 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -171.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.05 154.45 72.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.09 124.0 15.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.685 1.59 . . . . 0.0 111.21 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -133.99 150.41 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.98 116.86 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 tp -83.97 -58.05 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -174.13 157.58 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.15 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 90.5 mt -131.67 138.52 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.36 140.86 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -77.55 72.54 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -63.32 -37.9 89.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -170.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -155.51 143.62 14.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.99 167.19 26.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.703 1.602 . . . . 0.0 111.213 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.4 mmm -81.12 -12.08 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -102.37 63.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.06 -120.81 9.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -114.5 151.75 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.236 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -72.06 149.61 44.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.4 p -110.86 -24.73 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -106.41 164.21 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -79.11 144.35 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.0 152.03 28.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.78 131.64 35.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -106.45 165.02 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.51 -39.89 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.39 -17.13 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.75 -2.86 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.08 20.62 25.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -124.24 96.02 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -120.3 125.31 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -174.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.15 127.86 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -73.14 115.09 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 -174.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.18 16.15 26.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 t -98.39 147.62 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.0 p -102.45 -2.57 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 172.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -97.87 -30.7 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.87 -39.68 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.86 57.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.79 19.97 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.803 0.335 . . . . 0.0 111.18 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.08 117.84 9.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 107.45 -20.12 32.94 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -87.36 164.66 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -172.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -107.58 128.57 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -171.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -91.01 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 174.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.3 t -108.04 115.48 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -100.41 164.45 16.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.5 -28.71 46.13 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.699 1.599 . . . . 0.0 111.201 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.48 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.76 143.45 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.479 ' O ' ' OG ' ' A' ' 136' ' ' SER . 91.1 m -73.76 131.91 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -69.76 -26.56 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' ' 133' ' ' THR . . . -65.66 -24.18 71.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 133' ' ' THR . 97.4 p -83.37 -34.55 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 175.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.73 -24.11 22.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.1 p -103.38 -5.0 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 7.5 p -68.65 144.27 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.88 150.57 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.279 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.6 t -94.36 112.01 23.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -177.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -85.28 113.16 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 tp -97.08 111.09 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -106.76 114.77 29.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.9 ttp -110.53 115.33 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 64.2 m -118.12 96.6 49.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.68 140.02 91.58 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.715 1.61 . . . . 0.0 111.208 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -121.46 161.05 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 13.4 t -152.65 160.7 43.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.0 p -88.17 -13.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 173.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -92.65 98.21 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.208 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -69.64 -13.9 62.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -172.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.93 -20.91 60.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -76.43 141.4 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.2 p -115.81 -0.26 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.76 153.6 14.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.87 154.99 63.07 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.706 1.604 . . . . 0.0 111.169 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -92.36 -177.49 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -46.97 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -54.69 -51.73 64.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.94 -49.17 75.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -177.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.64 -38.88 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.68 -46.55 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.87 -31.55 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.3 mtm -89.03 5.35 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 91.1 p -63.53 -24.32 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.35 -25.59 68.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.15 -41.37 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.187 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.83 -27.75 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -91.12 15.74 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.95 153.61 41.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -54.95 134.33 62.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.663 1.576 . . . . 0.0 111.207 174.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . 0.44 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 28.1 p30 -84.08 165.78 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.234 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -154.25 129.7 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.975 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.786 0.327 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -118.18 129.12 55.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.4 t -69.4 133.69 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.03 26.18 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.26 168.63 42.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 146' ' ' MET . 74.8 m -129.9 147.74 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 111.2 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -115.69 144.58 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -121.76 110.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -123.51 163.8 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 -173.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.44 136.09 12.96 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.6 mt -119.59 135.04 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.174 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -85.39 113.1 48.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 52.5 Cg_exo -60.92 148.59 92.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.1 m -101.25 124.62 47.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -77.57 117.11 18.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.35 125.32 28.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.6 154.59 44.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.701 1.6 . . . . 0.0 111.22 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.6 t -155.5 151.63 27.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.7 p -71.71 -15.43 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.88 155.16 93.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.87 64.09 6.76 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.718 1.612 . . . . 0.0 111.234 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 179.75 147.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.235 -172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.7 m -97.2 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.15 114.16 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -102.54 112.67 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.27 127.82 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -90.21 103.88 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.0 m -57.81 125.27 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -116.37 102.96 53.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -57.39 145.52 87.54 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.721 1.614 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -76.1 85.45 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.32 115.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -95.1 68.95 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.7 145.35 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -67.02 83.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.41 162.84 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -114.53 153.96 29.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.402 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 30.8 m-90 -130.4 139.85 50.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -115.15 132.93 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 75' ' ' SER . 59.2 mt -113.35 122.22 46.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -114.8 126.1 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.22 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -90.17 124.31 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.39 154.97 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 140' ' ' VAL . 47.5 t -123.55 114.42 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.0 t -70.03 -46.66 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -170.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.39 -32.1 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.2 mt -94.14 -17.43 22.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 61.68 48.87 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.6 p -130.22 174.69 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -150.61 142.86 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.468 HG12 ' H ' ' A' ' 73' ' ' VAL . 79.8 t -77.19 126.47 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -78.92 1.52 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -167.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' H ' HG12 ' A' ' 71' ' ' VAL . 76.2 t -105.93 119.07 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 168.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.9 p -107.97 153.0 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.444 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 20.4 t -110.31 132.18 54.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 -171.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -116.48 139.21 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -148.64 157.95 43.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -136.58 160.18 39.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.183 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 t -138.23 -169.59 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.414 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.5 p -165.99 171.19 5.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 96.7 Cg_exo -52.13 -29.35 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.39 -32.63 7.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -97.32 140.53 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.56 157.02 77.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.31 123.76 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.638 1.559 . . . . 0.0 111.218 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -136.74 140.35 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.52 129.92 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 tp -99.9 -60.82 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -172.61 158.06 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.21 142.49 41.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -132.89 140.89 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.99 139.7 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -78.47 82.7 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -85.13 -25.44 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.2 m -132.79 131.61 22.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -49.83 117.57 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.18 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 97.0 mmm -87.91 -13.62 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 -174.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -128.28 71.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.79 -109.08 2.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.2 mt -128.69 149.3 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.181 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -101.6 118.26 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 p -112.98 8.1 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.223 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -103.73 161.51 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.64 151.68 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt -84.63 145.45 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 74.6 mt -108.56 141.6 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -107.74 162.6 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.57 -38.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.15 -15.54 63.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -87.44 -3.41 59.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.43 20.81 26.19 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.57 98.5 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.33 125.72 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.15 128.84 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -68.04 115.57 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -106.84 25.4 11.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -101.52 146.19 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -99.12 -5.78 29.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.18 -30.47 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -61.92 -39.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.46 -13.8 61.14 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -109.66 25.65 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.16 135.21 51.92 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.92 -16.0 60.01 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.06 159.43 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.184 -174.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.32 129.41 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -95.5 130.02 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.3 t -108.07 115.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -100.48 163.99 17.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.55 -28.51 45.8 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.712 1.608 . . . . 0.0 111.205 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.38 -31.95 72.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.239 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.94 146.37 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.6 m -56.83 124.33 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -69.58 -46.21 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.57 -33.47 81.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.6 p -68.05 -19.45 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.198 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.91 69.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -77.94 -8.48 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.439 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 93.4 p -111.4 10.77 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 64' ' ' VAL . 90.9 t -74.61 134.59 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.66 153.7 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.67 115.52 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -90.25 131.74 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.7 tp -112.68 125.72 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 76.8 ttt180 -117.64 119.39 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 171.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.446 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 66.0 ttp -106.95 125.78 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.19 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.7 m -128.2 91.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.44 140.44 94.58 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.727 1.618 . . . . 0.0 111.184 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.59 145.09 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.9 t -136.51 -174.52 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.8 p -115.98 -5.12 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -87.67 103.75 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.227 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -66.88 -16.22 64.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -91.38 0.32 57.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 59.9 ttm -103.99 127.29 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 74.9 p -117.17 7.92 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -161.14 151.18 14.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.87 156.42 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.216 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.8 p30 -92.41 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.12 -47.6 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -54.42 -50.08 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.48 -44.56 96.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.18 -37.91 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.31 -43.31 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.55 -23.19 60.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -95.67 6.19 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.404 ' HA ' ' HB2' ' A' ' 170' ' ' LEU . 87.2 p -64.08 -20.46 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.07 -28.22 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.66 -24.38 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 167' ' ' SER . 83.1 mt -69.84 -24.06 63.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.92 18.11 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.209 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.03 155.62 49.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.12 142.84 97.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.659 1.573 . . . . 0.0 111.222 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.01 121.87 27.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -139.87 136.17 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.017 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.066 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -111.78 102.94 11.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -64.18 134.19 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.61 15.57 28.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 161.12 22.19 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.5 m -123.76 147.15 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -117.08 143.37 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -121.45 109.5 14.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -122.69 159.88 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -174.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.26 133.14 11.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -120.49 131.29 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.181 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -80.92 113.65 42.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.54 159.74 32.07 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.176 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -110.81 128.46 55.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -88.01 123.95 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.27 127.52 26.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -74.23 157.69 45.75 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.705 1.603 . . . . 0.0 111.194 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -153.67 155.21 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.3 p -70.17 -17.65 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -73.11 158.32 87.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -75.14 61.02 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.663 1.575 . . . . 0.0 111.172 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 178.59 148.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.5 p -112.2 158.0 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.1 t -111.84 124.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.32 112.88 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.98 134.02 44.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.6 t -103.61 96.16 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.3 m -65.3 127.07 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -108.6 128.53 25.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.67 143.02 90.79 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.702 1.601 . . . . 0.0 111.213 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -72.77 78.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.82 114.16 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.45 71.66 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -133.64 145.73 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.16 83.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.42 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.6 t -102.28 119.27 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 12.5 m0 -102.35 124.09 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.1 m -118.48 126.29 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.81 135.12 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -130.52 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -86.38 124.78 33.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.25 135.41 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -172.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 140' ' ' VAL . 48.9 t -108.33 113.08 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.9 -43.66 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.38 -30.31 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.69 -14.42 23.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 61.6 45.82 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -153.41 -167.65 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.51 174.16 11.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 63.4 t -88.46 143.11 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 55.4 t0 -76.99 67.39 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -171.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 13.4 p 178.59 144.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -115.46 143.48 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 t -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -112.25 130.52 55.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -172.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.421 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 26.3 m-85 -115.67 142.52 46.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -106.64 135.93 47.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -142.66 164.86 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.456 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.8 p -160.54 173.74 4.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.2 Cg_exo -51.8 -28.66 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.698 1.598 . . . . 0.0 111.228 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.71 -30.92 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -95.78 137.85 34.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -171.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.24 156.45 69.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.41 117.06 3.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.667 1.578 . . . . 0.0 111.226 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -132.69 145.16 50.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.5 117.24 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.0 tp -91.91 -55.9 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -166.79 170.22 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.225 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.67 135.39 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.1 mt -130.58 134.99 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.229 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.47 135.85 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.75 82.44 4.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -172.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.97 -26.07 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -125.21 113.18 26.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.23 174.56 12.63 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.193 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 68.5 mtt -68.45 -25.67 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.09 64.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.7 -118.79 7.27 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.74 157.9 26.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -116.05 152.82 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.8 p -111.6 -22.22 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.47 162.36 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -91.45 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.8 mt -105.11 173.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -69.84 136.04 50.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -173.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -117.4 174.32 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -175.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.1 t -56.39 -38.49 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.48 -20.98 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.35 -1.73 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.54 17.23 42.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -122.26 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.205 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -126.81 119.71 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.96 130.69 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.41 114.87 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.233 -175.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -103.01 15.81 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -96.17 146.85 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 65.7 p -95.9 -9.15 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.175 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -97.82 -30.91 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.61 -40.29 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.21 57.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -99.26 16.18 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.74 118.46 10.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.45 32.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.31 157.82 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 111.183 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -103.05 127.19 50.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -88.66 132.64 34.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 171.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.1 t -111.52 121.63 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.9 163.8 16.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.74 -26.43 47.21 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.21 -30.12 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.33 142.34 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.3 m -63.68 134.32 55.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.92 -44.04 86.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.15 96.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -59.73 -42.52 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.197 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.11 80.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.23 -20.31 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.5 p -95.97 11.3 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.475 HG23 HG23 ' A' ' 64' ' ' VAL . 76.4 t -75.45 133.93 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.5 152.47 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.3 t -99.98 116.97 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -96.72 121.94 39.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.18 123.07 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -105.93 116.45 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 67.4 ttp -109.89 111.36 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 82.8 m -118.58 86.06 28.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -174.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 57.7 Cg_endo -64.26 143.16 82.6 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.721 1.614 . . . . 0.0 111.185 173.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -147.12 164.37 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.4 t -144.35 -174.95 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.2 p -108.22 -8.51 15.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -85.29 108.24 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.5 p -67.93 -14.06 62.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.97 -4.83 57.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 96.8 mtp -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -117.19 5.95 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.06 153.61 15.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.37 153.99 61.08 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.693 1.595 . . . . 0.0 111.206 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -91.52 -178.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.9 -47.61 80.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -54.43 -50.19 68.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.5 -38.81 91.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.91 -26.26 63.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.2 mtm -92.96 4.31 54.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 86.8 p -63.93 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.44 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.49 -40.06 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.162 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.86 -26.45 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -92.06 16.49 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.29 155.65 44.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.71 141.34 95.53 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.709 1.606 . . . . 0.0 111.218 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.83 141.17 42.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -153.64 122.81 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.963 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.775 0.321 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -77.65 87.97 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -62.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.04 18.42 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.13 131.31 7.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 146' ' ' MET . 71.0 m -97.33 150.14 21.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.174 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -116.21 142.96 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -117.99 113.56 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.75 160.11 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.4 129.37 8.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -127.14 134.71 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -84.96 111.17 33.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.99 158.78 42.05 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.72 1.613 . . . . 0.0 111.22 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 p -119.99 156.12 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.36 130.09 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -96.33 120.32 62.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -54.55 129.93 37.46 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.719 1.612 . . . . 0.0 111.2 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -164.09 151.39 12.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.8 p -77.13 -12.1 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.72 131.84 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.34 -34.0 68.65 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.67 1.58 . . . . 0.0 111.23 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -79.78 143.04 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.6 m -84.92 129.11 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.7 t -103.35 117.45 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.79 133.61 46.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.222 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -121.41 126.64 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.4 116.97 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -63.07 127.8 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 tp -117.17 112.02 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.96 144.41 89.31 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.715 1.61 . . . . 0.0 111.245 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -75.5 83.06 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG23 ' A' ' 54' ' ' VAL . 64.6 t -105.13 118.08 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -97.55 70.43 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG23 HG12 ' A' ' 52' ' ' VAL . 16.5 m -133.02 165.06 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 172.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -70.61 82.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.34 159.87 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -122.29 153.41 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -126.9 137.22 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -117.04 127.58 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -103.57 134.45 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -126.94 128.14 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 172.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -88.38 107.46 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.28 132.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -171.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 140' ' ' VAL . 48.6 t -104.83 113.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.5 -43.81 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -67.49 -27.53 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 -174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.35 -12.85 22.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 61.7 45.04 8.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -154.53 -167.36 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.3 p -147.71 163.65 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 97.7 t -80.66 136.58 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 66.0 t0 -70.96 74.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -173.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.2 p 179.55 143.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 173.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.1 p -121.0 147.25 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 t -113.33 131.76 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -110.18 134.68 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -172.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -121.86 156.0 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -141.6 139.98 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.4 t -131.96 -171.46 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.441 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.2 p -164.55 172.08 5.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.4 Cg_exo -51.25 -28.91 27.76 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.653 1.569 . . . . 0.0 111.248 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -110.27 -32.77 6.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -96.25 145.99 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.11 156.3 60.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.17 122.75 12.26 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.598 . . . . 0.0 111.16 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -135.12 152.47 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -58.07 117.74 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.2 tp -89.73 -57.01 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -167.31 172.68 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -171.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.35 135.27 35.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -132.62 136.03 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -173.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.56 150.0 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -80.63 71.59 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.18 -173.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.43 -49.09 70.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -145.31 143.29 19.81 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.33 149.94 46.02 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.704 1.603 . . . . 0.0 111.182 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.0 mmm -108.04 9.78 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -130.34 45.81 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.91 -116.75 5.66 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.54 156.35 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.211 -176.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -142.23 -84.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p 55.26 33.0 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.23 155.09 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -72.15 82.13 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.27 151.25 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.9 mt -80.79 141.59 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -176.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -105.54 164.65 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.6 t -55.97 -40.76 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.68 -17.19 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -75.64 -16.93 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.04 36.58 0.87 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.61 139.24 41.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 111.22 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -151.55 111.18 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.31 134.19 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.27 113.91 7.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.69 25.33 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.89 139.45 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 p -94.52 -3.98 48.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 173.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -96.85 -32.27 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.25 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.17 -41.81 99.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.88 -6.78 76.9 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -111.99 23.15 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.02 136.24 48.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.37 -25.55 15.36 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.82 146.76 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 111.255 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.26 124.76 48.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -93.55 125.98 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.0 t -106.95 124.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -88.06 155.78 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.09 -16.77 53.44 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.735 1.623 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.56 -24.76 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.99 146.41 28.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -64.48 125.62 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.5 p -74.51 -26.64 60.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.54 -33.77 88.11 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.8 p -81.21 -32.51 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.6 83.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.03 -13.21 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.3 p -103.77 13.03 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.442 HG23 HG23 ' A' ' 64' ' ' VAL . 79.7 t -74.43 130.4 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.39 154.98 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 46.8 t -101.71 120.77 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -98.09 123.06 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -107.47 122.23 46.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -174.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -107.38 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.401 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 65.8 ttp -105.19 118.26 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 77.0 m -122.99 92.39 49.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.02 145.99 51.27 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.733 1.622 . . . . 0.0 111.178 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -113.9 168.66 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.18 -168.79 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 169.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.2 -9.05 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -96.98 109.04 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -17.32 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.47 -18.23 60.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.8 mtp -81.52 133.87 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.9 p -118.87 5.56 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.46 152.66 12.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.68 155.68 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.716 1.611 . . . . 0.0 111.211 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -90.54 -178.07 5.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.84 -47.24 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.23 -50.69 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.02 -42.2 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.15 -39.32 92.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.63 -43.34 84.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -28.05 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.71 6.58 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -63.56 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -26.52 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.91 -39.51 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.92 -25.45 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.3 6.02 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.51 154.54 71.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.93 143.36 92.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -79.06 141.66 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -162.14 113.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -78.49 89.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -56.32 135.95 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.02 16.82 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 159.0 20.08 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.48 145.72 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.212 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -115.58 143.64 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -118.22 112.28 19.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -174.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.89 158.07 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.95 131.12 9.58 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.2 mt -127.97 134.24 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -84.24 115.66 61.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.257 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.69 157.14 56.28 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.746 1.631 . . . . 0.0 111.204 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -124.98 163.82 21.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -81.38 126.41 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.58 122.05 63.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -54.01 126.76 23.07 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.715 1.61 . . . . 0.0 111.216 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -164.16 150.66 11.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -79.47 -9.84 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.95 131.58 94.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.38 -34.47 71.22 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.563 . . . . 0.0 111.227 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.35 144.91 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.447 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 80.2 m -84.28 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.05 117.17 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -101.95 133.19 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -140.76 132.3 27.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -99.64 152.12 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.0 m -90.08 119.36 30.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.09 114.1 65.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.75 132.71 47.59 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.712 1.608 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.09 76.75 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.234 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -96.17 119.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.21 76.52 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.25 167.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.05 82.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.23 154.52 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -122.93 156.52 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 173.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.418 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 31.2 m-90 -126.09 138.23 53.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.23 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -119.99 123.41 43.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' C ' HD21 ' A' ' 60' ' ' LEU . 8.5 tt -111.7 119.87 40.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 87.6 tt0 -106.61 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -81.83 105.51 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.95 137.71 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -171.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.55 112.58 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 70.3 t -68.69 -42.54 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.219 -170.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.67 -27.61 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -93.58 -15.03 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.65 43.77 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.51 -167.48 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.7 p -148.46 168.24 23.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.28 141.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.455 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -73.3 70.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -172.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p 177.52 144.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 176.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.1 p -118.03 143.82 46.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 t -106.9 124.91 50.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -103.56 137.63 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.418 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 32.7 m-85 -127.79 152.79 47.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -141.66 138.48 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.6 p -130.91 -175.9 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.449 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.4 p -160.08 173.1 5.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.449 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 95.2 Cg_exo -52.03 -28.14 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.696 1.597 . . . . 0.0 111.188 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.4 -31.37 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -99.15 141.87 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 -171.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -80.92 156.13 72.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.94 123.24 13.3 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.667 1.578 . . . . 0.0 111.175 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.2 154.62 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.56 116.83 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.4 tp -88.54 -57.95 2.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.83 167.7 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.44 133.08 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.48 135.51 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.18 140.27 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -86.76 79.78 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -169.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -86.79 -45.48 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -143.03 126.92 9.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -75.96 162.01 35.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.711 1.607 . . . . 0.0 111.203 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.4 mmm -98.96 11.69 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -130.01 46.6 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.85 -143.2 17.03 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.2 mt -119.04 146.68 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.21 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -104.04 -80.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m 60.43 57.53 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -124.9 157.94 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -71.77 83.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.195 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.07 150.64 37.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.85 142.3 31.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -108.68 164.72 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.92 -39.93 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.25 -15.65 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.39 -4.16 59.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.72 18.18 30.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.86 98.44 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -125.81 124.57 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.62 132.47 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.15 112.99 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -102.97 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.21 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t -94.69 143.71 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -99.11 -4.98 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -97.49 -30.83 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.25 -38.59 89.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.92 -13.23 65.29 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -109.28 24.88 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 111.219 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.45 136.57 50.57 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 102.39 -20.87 43.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.81 153.01 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 111.181 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -101.6 126.1 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -89.45 126.0 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.447 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 87.1 t -106.51 119.45 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 177.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -89.07 155.33 49.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.59 -18.06 53.6 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.631 1.554 . . . . 0.0 111.206 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.24 -24.4 63.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.95 148.48 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -65.35 130.88 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -76.22 -28.82 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.94 92.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -66.95 -43.25 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.198 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.23 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -21.82 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.415 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.5 p -106.95 17.79 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -173.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.4 t -74.43 129.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 175.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.97 155.07 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 82.3 m -96.82 119.94 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 67.4 ttt180 -92.12 105.45 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.217 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.47 118.26 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -169.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -104.85 116.02 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.8 ttp -105.03 119.27 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.99 86.45 56.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.84 147.81 79.05 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.679 1.586 . . . . 0.0 111.233 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -145.07 163.35 34.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.01 -168.82 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.6 p -114.79 -11.06 12.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -84.48 101.94 12.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.2 p -67.83 -14.65 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.89 -18.4 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.17 135.89 35.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.3 p -114.65 1.37 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 173.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -166.03 154.62 10.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.62 153.15 69.94 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.688 1.592 . . . . 0.0 111.213 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -91.19 -178.79 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.62 -47.61 79.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.245 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -54.41 -50.0 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.64 -44.1 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.17 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.22 -44.11 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.39 -30.72 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -92.59 5.97 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.7 p -62.93 -25.97 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.05 -26.63 68.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.71 -39.76 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.1 mt -66.74 -24.65 66.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -174.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -90.26 12.06 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.43 155.4 62.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.88 141.46 93.09 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.193 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.85 142.36 36.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -162.16 113.61 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 174.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -176.603 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -113.09 107.27 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.228 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -59.57 133.98 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.7 mt -109.19 26.38 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.26 173.13 28.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.66 147.56 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.18 145.48 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.55 112.92 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -123.59 160.2 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.25 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.17 133.38 11.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -122.99 132.24 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -81.09 113.8 43.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.38 159.6 36.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.61 . . . . 0.0 111.184 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -108.66 127.78 54.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -87.86 123.56 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -117.76 127.77 26.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -74.0 157.65 46.74 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.743 1.629 . . . . 0.0 111.182 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.0 t -153.57 154.93 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.5 p -69.93 -18.62 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -72.01 158.65 87.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.212 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.36 60.57 5.74 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.76 1.64 . . . . 0.0 111.185 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 178.7 148.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -112.12 158.8 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.8 125.82 69.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.6 111.74 24.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -98.23 128.92 44.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -172.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -103.77 92.6 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.1 m -71.58 128.82 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.9 mt -110.0 139.7 21.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -58.76 149.0 80.29 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.705 1.603 . . . . 0.0 111.223 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -74.5 81.11 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.6 t -101.8 114.5 41.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.2 68.87 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.48 149.72 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.41 82.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.72 154.29 37.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 t -108.62 142.83 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -122.27 131.65 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.229 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -117.29 127.72 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.78 131.63 50.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -127.72 126.1 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.01 123.77 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.6 134.44 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.485 HG23 HG23 ' A' ' 140' ' ' VAL . 48.4 t -107.36 113.59 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.62 -43.26 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.7 -29.76 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.7 mt -97.05 -14.32 21.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 61.43 46.1 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -153.75 -168.06 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.98 172.11 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.401 HG12 HG12 ' A' ' 73' ' ' VAL . 64.6 t -87.16 143.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 51.4 t0 -78.04 64.63 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -170.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 11.6 p 178.25 143.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.2 p -118.14 149.28 41.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 t -114.23 132.78 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.02 134.12 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -119.74 152.37 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -139.86 141.98 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.183 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -138.04 -171.24 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.441 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -168.34 172.17 3.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.5 Cg_exo -51.44 -29.22 30.39 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.72 1.614 . . . . 0.0 111.18 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -108.99 -31.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.9 t -98.18 143.93 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.37 157.57 53.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.88 121.33 9.66 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.665 1.577 . . . . 0.0 111.213 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.79 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -57.83 116.8 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 tp -89.19 -58.71 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -164.66 164.66 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -172.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 133.35 48.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 172.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.47 133.38 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.0 136.22 56.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -78.37 79.73 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -171.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -84.78 -26.34 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -124.83 116.98 26.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -75.75 168.74 23.69 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.712 1.608 . . . . 0.0 111.243 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 67.7 mtt -62.41 -32.97 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -102.45 63.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.45 -108.54 2.73 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.5 mt -129.61 156.14 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.201 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -119.82 156.58 30.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.4 p -116.01 -17.08 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.72 160.38 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.85 151.93 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.4 mt -106.31 171.51 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.36 137.26 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 -174.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -117.94 174.34 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -56.66 -38.18 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.7 -21.09 60.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -92.13 -1.96 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.8 17.59 40.75 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.79 99.76 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -128.05 120.39 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.9 131.37 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.7 116.85 8.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -106.83 20.46 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -99.15 146.65 25.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.2 p -95.23 -9.42 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -97.89 -31.44 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.51 -40.42 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.17 -13.21 60.32 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.03 13.92 31.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.207 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.68 118.07 10.0 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.75 -20.43 24.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -91.02 157.83 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.186 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.3 tp -102.37 127.38 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.207 -170.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 171.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.34 121.65 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -107.17 163.71 16.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.43 -27.01 47.13 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.47 -30.88 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.53 142.49 34.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.0 m -64.36 134.28 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.9 m -65.13 -44.37 88.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.83 -45.36 95.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -59.75 -42.18 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.07 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.19 -21.17 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.5 p -93.93 8.84 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.245 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.485 HG23 HG23 ' A' ' 64' ' ' VAL . 79.4 t -73.7 133.75 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.62 153.31 51.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.5 t -100.49 117.57 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -95.76 122.81 38.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.9 tp -107.08 123.01 47.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -107.71 115.79 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.76 114.8 29.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.8 m -121.75 89.13 47.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.54 151.38 79.8 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.709 1.606 . . . . 0.0 111.196 177.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -145.6 162.42 37.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.225 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.3 t -142.99 -174.2 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.8 p -107.13 -11.9 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -86.5 106.7 17.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -67.57 -15.31 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.8 -14.78 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -84.88 134.38 34.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.9 p -116.47 4.34 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.44 153.55 14.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -70.02 152.16 67.84 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.735 1.623 . . . . 0.0 111.156 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -90.7 -178.12 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.73 -47.97 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.73 -50.33 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -39.07 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.17 -43.39 87.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.07 -22.98 60.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 73.7 mtm -97.28 6.02 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -64.15 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -173.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.2 -26.27 68.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.208 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 83.1 t -91.94 -39.64 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.53 -26.17 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.248 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.97 5.69 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.1 mt -81.04 154.87 72.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.98 141.24 93.86 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.682 1.588 . . . . 0.0 111.194 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.78 137.99 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -162.03 113.43 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.784 0.326 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -63.06 137.13 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.266 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.49 18.01 23.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.85 130.84 6.88 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -96.49 150.15 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.24 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -115.89 142.95 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -123.52 158.7 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 130.91 9.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -127.18 135.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.218 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -82.17 117.32 67.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.8 159.4 38.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.708 1.605 . . . . 0.0 111.178 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -121.5 153.67 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.242 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 86.1 m -83.32 131.91 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.11 112.6 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.44 117.48 35.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.4 133.63 51.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -98.56 120.99 39.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -62.72 128.31 35.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 tp -122.53 109.4 32.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -57.04 144.63 89.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.727 1.618 . . . . 0.0 111.17 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.24 82.68 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 61.6 t -104.76 117.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -97.04 70.17 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.4 m -133.07 165.28 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -70.45 83.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.73 157.93 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -121.91 155.02 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -127.28 136.21 51.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -116.89 127.73 54.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -103.77 133.8 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -125.06 123.26 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -84.08 122.17 28.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.0 t -120.37 134.29 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 140' ' ' VAL . 54.8 t -108.85 113.38 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.61 -42.49 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.83 -28.39 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.8 -14.2 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 61.37 45.41 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.53 -168.66 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.1 p -146.89 164.3 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.29 136.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -71.88 74.01 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.7 p 179.49 144.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.53 142.39 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 176.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 t -113.06 131.93 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -113.92 133.45 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -170.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -118.84 159.54 23.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.91 138.54 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -130.73 -172.37 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.4 p -163.69 171.97 5.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.5 Cg_exo -51.44 -28.74 28.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.704 1.603 . . . . 0.0 111.203 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -110.3 -32.82 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t -96.33 145.6 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.2 156.28 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.16 123.02 12.76 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.66 1.573 . . . . 0.0 111.19 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -135.37 152.38 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.01 117.53 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 tp -88.99 -57.24 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -167.81 173.88 7.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.47 132.03 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.19 134.4 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 143.63 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -171.704 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.17 141.82 33.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -105.72 164.37 11.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.89 -41.65 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.88 -15.32 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -84.23 -4.15 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.38 32.12 5.31 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.33 88.2 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 0.0 111.254 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -112.95 108.43 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.7 t -81.75 131.72 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.73 115.63 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -111.11 24.9 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -96.34 138.94 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.7 p -94.28 -5.23 47.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.41 -32.14 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.3 -40.51 97.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.63 -6.98 77.63 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.95 24.37 12.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.27 136.2 49.68 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.92 -24.23 21.92 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.64 147.66 39.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.05 124.77 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -91.71 119.55 31.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 99.2 t -101.37 122.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.81 154.41 55.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -67.45 -17.04 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.07 -24.29 63.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.206 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.08 147.19 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.5 m -63.59 126.69 28.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -72.86 -27.48 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.54 -41.09 99.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.1 p -74.46 -30.41 61.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.92 93.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.84 -17.84 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p -95.72 7.27 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 64' ' ' VAL . 74.2 t -71.57 132.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.08 155.36 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.7 120.99 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -96.52 119.97 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 59.7 tp -108.93 123.01 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -109.89 118.02 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 170.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.09 118.52 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 73.9 m -123.28 92.27 49.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -71.02 146.01 51.31 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.736 1.624 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.06 169.55 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.43 -168.65 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.45 -8.68 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -97.71 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.19 -17.37 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.12 -18.71 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.55 133.46 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.1 p -118.75 5.83 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.48 152.65 12.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.9 155.93 57.15 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.613 . . . . 0.0 111.2 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -90.19 -177.98 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -57.04 -47.27 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.17 -50.72 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -64.11 -42.11 96.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.1 -39.25 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.99 -28.15 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.9 mtm -93.84 5.88 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 93.3 p -63.67 -25.61 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.28 -25.36 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.66 -39.31 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.08 -24.51 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.22 15.24 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.1 156.71 51.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.93 143.29 92.45 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.716 1.61 . . . . 0.0 111.18 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.17 140.23 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -162.46 112.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.008 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.884 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t -63.87 137.32 57.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.72 17.93 23.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 131.95 7.34 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -97.49 149.96 21.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 0.0 111.2 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -115.92 142.39 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -117.67 112.94 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.24 158.08 28.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.49 128.98 8.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.6 mt -127.68 133.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -82.14 118.61 72.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -75.89 158.06 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -122.03 157.29 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.547 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -84.9 127.46 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -104.28 115.41 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -100.76 126.8 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -112.01 129.92 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.196 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -97.1 116.73 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.9 m -63.61 127.42 31.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -119.99 110.05 36.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -55.55 139.66 82.74 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.704 1.603 . . . . 0.0 111.235 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -75.89 81.73 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.81 110.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -88.56 75.46 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.73 166.9 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -71.12 82.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.62 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -123.24 155.36 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -125.87 137.93 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -117.09 121.9 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.223 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.73 131.89 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.216 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -126.9 127.95 45.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -87.41 107.91 18.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.59 135.43 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -171.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.0 t -108.74 113.83 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.5 t -70.27 -43.27 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -171.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.36 -27.75 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -174.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.81 -13.12 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 61.7 44.94 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.34 -167.38 2.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.8 p -148.26 164.19 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 95.1 t -79.08 135.31 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 65.9 t0 -70.42 74.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.6 p -179.27 143.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.1 p -118.13 142.1 47.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -111.65 131.27 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -113.06 133.8 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -170.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 170.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -143.29 138.69 29.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.4 p -132.09 -173.43 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.241 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 16.8 p -156.41 172.08 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 90.2 Cg_exo -51.15 -27.46 22.41 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.739 1.626 . . . . 0.0 111.18 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.72 -33.51 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -95.88 138.77 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -75.69 158.93 82.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -56.08 122.53 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.668 1.579 . . . . 0.0 111.218 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.31 150.56 50.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.06 117.42 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.1 tp -87.35 -58.23 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -168.76 174.37 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -171.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.34 22.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -131.07 135.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 142.46 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -171.211 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.5 mt -80.65 141.69 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -105.48 164.18 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.0 -40.95 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.65 -17.21 62.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -75.93 -16.78 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.12 36.69 0.85 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.53 139.61 42.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -151.77 110.87 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.27 133.69 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.91 113.98 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -108.8 23.56 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.68 139.35 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -94.4 -4.55 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.56 -32.16 12.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -62.74 -41.42 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.81 77.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -112.15 23.29 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 111.202 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.05 135.89 48.64 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 109.23 -24.97 19.58 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.48 146.73 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.266 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.1 tp -101.3 125.2 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -92.59 125.53 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.72 125.29 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.256 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -91.91 155.35 43.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.197 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.88 -16.06 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 0.0 111.226 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.86 -24.21 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.65 146.24 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.8 m -64.15 125.5 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -73.17 -27.68 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.231 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.54 -35.86 92.6 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -79.78 -33.66 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.22 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.37 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.87 -20.85 66.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.412 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 97.2 p -105.75 17.59 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -173.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.26 127.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -134.78 155.17 51.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 49.1 t -99.94 119.07 37.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -97.81 121.38 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.37 120.8 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.215 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -104.83 115.85 31.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.0 ttp -104.57 117.71 34.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 80.5 m -122.57 91.8 49.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 -176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -70.86 146.08 52.45 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.709 1.606 . . . . 0.0 111.172 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -113.33 169.29 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.04 -168.71 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.0 p -123.39 -8.07 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -98.93 108.81 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.11 -17.4 64.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.03 -18.52 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.69 133.68 35.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.0 p -118.93 5.87 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.69 152.56 11.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.87 155.85 57.37 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.685 1.59 . . . . 0.0 111.18 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -90.58 -177.97 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.87 -47.11 81.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -54.38 -50.48 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.61 -39.12 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.81 -43.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.02 -31.72 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -91.98 6.89 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.1 p -63.37 -25.36 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.181 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 91.9 t -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.205 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.38 -25.2 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.08 5.74 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.4 mt -80.9 154.83 73.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.02 142.44 94.06 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.696 1.598 . . . . 0.0 111.191 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.08 142.52 36.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -162.11 113.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.979 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.681 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -73.28 132.82 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.87 32.23 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.95 -167.89 24.36 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 t -163.35 135.47 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -105.96 156.17 18.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 -175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.42 112.5 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.16 146.83 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.8 110.71 4.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.24 134.28 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -90.56 115.25 63.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -57.92 144.21 94.52 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.743 1.629 . . . . 0.0 111.248 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -101.92 125.26 48.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 179.283 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.7 m -108.54 137.8 45.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.08 119.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.17 116.16 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.2 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -104.63 131.69 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.68 118.31 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -62.91 130.87 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 tp -137.02 112.12 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.234 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.37 135.8 66.85 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -79.91 75.83 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.1 t -99.93 119.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.89 74.91 8.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.217 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.16 165.57 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -71.51 84.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.67 161.3 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -137.35 157.48 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 25.8 m-90 -127.03 137.79 53.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 -172.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 110.71 20.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.7 mp -95.78 109.61 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -175.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 83.5 tt0 -95.38 119.42 33.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -85.91 106.22 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.23 135.77 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 140' ' ' VAL . 60.4 t -111.44 112.37 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 69.2 t -69.46 -41.24 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -173.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -59.21 -36.85 76.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' H ' HG12 ' A' ' 64' ' ' VAL . 93.3 mt -96.55 -13.98 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -177.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.73 46.49 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -154.07 -169.97 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.6 m -134.83 166.11 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 73' ' ' VAL . 65.4 t -81.18 145.32 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -79.11 11.46 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -168.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 71' ' ' VAL . 7.6 p -148.52 136.28 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.8 p -108.03 168.75 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -108.49 119.21 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -106.04 123.74 48.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -112.87 158.37 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.223 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -146.78 135.86 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.9 t -117.57 -169.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 28.8 t -163.09 153.01 13.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -49.16 -28.43 14.39 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.605 . . . . 0.0 111.24 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -125.69 36.76 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 47.3 t -168.18 142.56 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 172.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -74.15 161.02 80.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -56.73 127.37 25.61 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.721 1.614 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.33 147.08 51.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.65 118.91 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.76 -51.04 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.15 160.49 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.89 143.18 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.2 mt -119.53 123.14 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.71 146.3 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.544 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.0 137.56 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.226 -171.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.43 165.44 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.15 -38.88 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.84 -16.86 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.74 -3.1 58.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.81 19.97 30.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.07 98.43 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -126.03 123.06 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.0 128.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -72.52 114.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.21 14.45 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.23 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -99.2 151.04 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.219 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -110.1 3.4 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 172.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.47 -30.95 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.66 -39.64 92.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.7 56.86 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -99.59 19.4 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.88 118.24 10.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.53 -18.07 41.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -82.0 154.77 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.7 tp -101.93 123.21 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -84.71 133.32 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.31 118.86 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 173.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.52 163.6 16.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.231 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.02 -27.77 47.01 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.698 1.599 . . . . 0.0 111.161 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.252 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.42 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.5 m -66.45 134.21 52.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.4 p -75.06 -30.54 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -173.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.11 -40.32 96.85 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.6 m -64.93 -41.89 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.219 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.39 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.95 -13.29 61.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.406 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.8 p -105.99 13.62 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 77.6 t -73.52 131.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -132.79 145.94 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 44.0 t -99.92 112.49 24.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 68.4 ttt180 -88.78 106.99 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.7 tp -93.54 99.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 79.4 ttt180 -89.36 106.75 18.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.3 ttp -104.73 107.47 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 79.8 m -110.08 100.63 44.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 72.2 Cg_endo -73.24 145.33 38.66 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.699 1.6 . . . . 0.0 111.167 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -124.15 160.93 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -153.36 -168.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.9 p -122.3 -8.92 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -90.0 101.94 14.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -67.16 -15.79 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.35 -19.02 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.1 mtp -82.49 136.63 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.22 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.5 p -113.6 1.86 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -165.59 156.04 11.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.55 144.6 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.705 1.603 . . . . 0.0 111.188 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -89.1 -178.5 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -48.88 70.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -54.14 -50.52 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.6 mtp -63.24 -44.19 95.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.8 -38.57 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.89 -47.66 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.54 -30.22 69.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 97.2 mtp -94.35 4.9 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 92.8 p -59.74 -30.14 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -173.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -48.89 77.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.09 -30.24 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.9 -29.37 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -90.69 21.68 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.6 154.17 44.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.45 144.3 92.16 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.662 1.575 . . . . 0.0 111.164 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.3 152.07 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -87.83 93.38 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.192 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -66.07 133.27 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.4 mt -104.38 18.49 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.82 171.78 26.52 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.02 143.79 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -112.89 143.91 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -119.11 110.3 16.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -122.73 160.63 25.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.79 133.26 11.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -123.03 132.9 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -80.41 114.16 45.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.53 160.83 34.85 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.707 1.604 . . . . 0.0 111.201 -175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -109.61 127.96 54.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -179.63 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -111.63 157.99 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.22 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.5 t -111.84 125.2 69.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.93 113.98 27.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.73 134.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.78 91.7 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.6 m -69.69 128.3 35.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -109.0 137.42 20.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -58.12 144.54 94.93 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.666 1.578 . . . . 0.0 111.211 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -77.01 82.78 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.439 HG12 HG22 ' A' ' 54' ' ' VAL . 65.0 t -107.38 111.26 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -91.32 74.73 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 52' ' ' VAL . 21.6 m -135.23 167.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.13 82.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.28 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -125.81 147.26 49.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -121.85 136.0 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -116.27 126.88 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -106.21 134.75 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -130.09 128.43 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 168.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -86.96 124.27 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -117.22 133.51 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 140' ' ' VAL . 47.4 t -106.92 108.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.198 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.2 -41.29 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -60.18 -38.39 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' H ' HG12 ' A' ' 64' ' ' VAL . 97.9 mt -93.93 -12.58 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 61.88 46.19 6.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.74 -167.06 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -147.56 168.96 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 87.3 t -86.4 144.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -80.71 45.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.68 134.91 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.5 p -111.03 135.62 51.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 170.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.7 t -113.18 130.55 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -117.34 159.21 23.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -145.78 139.67 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.1 t -134.8 -169.15 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 13.0 p -166.88 173.09 3.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.5 Cg_exo -51.77 -29.59 34.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.73 1.62 . . . . 0.0 111.212 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.88 -31.16 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.6 t -97.07 144.86 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.83 155.79 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.27 121.2 9.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.647 1.565 . . . . 0.0 111.21 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -133.7 149.73 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.1 116.86 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.34 -56.74 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.207 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -166.35 170.05 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.75 136.45 40.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -130.98 136.73 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.5 138.1 57.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -173.287 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.0 mt -68.33 138.75 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.49 176.02 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.24 -29.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -61.73 -21.33 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -96.83 -1.56 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.72 18.66 47.12 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.04 104.53 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.232 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -131.2 119.09 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.7 135.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.56 112.96 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -102.84 15.66 28.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -94.89 146.18 24.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 p -95.34 -9.44 32.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -98.01 -31.24 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.06 -40.94 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.67 -13.25 59.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.58 17.0 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.57 118.45 10.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -173.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.63 -18.25 32.46 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.51 158.96 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.8 tp -103.39 127.82 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 -169.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -89.48 131.89 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -106.98 164.06 15.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.94 -26.46 49.05 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.705 1.604 . . . . 0.0 111.206 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.68 142.01 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.6 m -64.22 135.63 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.49 -44.05 88.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.78 96.84 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.5 m -59.58 -42.82 93.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.43 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.85 -18.96 62.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.1 p -94.08 6.98 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 64' ' ' VAL . 76.1 t -73.24 134.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.88 153.39 51.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.0 t -100.08 119.24 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.22 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -96.58 121.62 38.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.231 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.24 125.7 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -109.84 115.6 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.3 ttp -102.91 113.86 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.6 m -120.8 88.41 43.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.56 151.43 75.29 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -145.04 162.84 35.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -142.39 -177.17 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.9 p -106.7 -8.43 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -81.97 104.99 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.236 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -66.99 -16.05 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.16 2.1 56.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 60.2 ttm -103.2 127.47 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 78.9 p -117.11 6.07 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -160.98 152.39 16.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.3 152.49 61.25 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.717 1.611 . . . . 0.0 111.189 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -91.45 -178.36 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -47.0 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -54.08 -51.1 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -63.63 -43.25 97.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -38.97 92.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.04 -43.94 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.36 -30.35 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.68 4.29 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.2 p -63.3 -25.33 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -26.28 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.76 -39.96 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.0 mt -64.44 -27.77 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -175.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -85.16 4.93 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.0 mt -81.57 153.63 70.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.89 142.13 96.27 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.695 1.597 . . . . 0.0 111.2 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -76.98 141.28 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -155.06 126.81 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.051 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.834 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -75.0 134.06 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -108.37 31.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -172.51 24.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.7 t -163.29 136.5 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -106.96 150.73 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -123.53 114.71 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 174' ' ' ASN . 73.8 mmtt -120.68 163.5 17.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.87 126.15 7.69 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 142' ' ' CYS . 47.5 mm -113.27 131.92 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -82.3 114.69 53.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.46 141.2 94.96 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.691 1.594 . . . . 0.0 111.167 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.8 m -102.35 119.74 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.8 m -99.73 137.63 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.8 t -99.14 117.71 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.65 111.46 23.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.88 128.43 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -100.49 115.44 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -65.41 129.76 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.7 tp -134.56 111.37 11.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -54.7 136.09 69.81 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.689 1.593 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.41 74.93 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.9 123.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.93 75.59 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.88 162.71 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -72.14 82.4 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.27 159.11 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -122.01 156.26 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 -128.4 138.38 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -117.21 127.68 54.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -107.98 113.75 27.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -107.28 122.79 47.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -86.06 106.65 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.14 132.67 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 67' ' ' LEU . 63.5 t -106.6 121.71 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -174.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.78 -48.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.51 -26.91 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' H ' HG12 ' A' ' 64' ' ' VAL . 95.0 mt -96.63 -18.44 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.49 46.15 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.33 -168.9 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t -145.21 149.55 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 73' ' ' VAL . 95.8 t -72.63 140.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -79.7 8.39 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -166.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 71' ' ' VAL . 95.5 t -129.08 135.14 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 171.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.2 p -115.93 157.18 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 175.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -110.97 129.75 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -110.34 132.74 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -117.76 159.29 23.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -144.72 137.66 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.8 t -133.18 -168.7 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -163.15 172.43 5.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.9 Cg_exo -52.14 -28.31 32.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.663 1.575 . . . . 0.0 111.224 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.91 -31.28 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.4 t -97.48 145.05 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -171.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.05 154.45 72.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.09 124.0 15.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.685 1.59 . . . . 0.0 111.21 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -133.99 150.41 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.98 116.86 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 tp -83.97 -58.05 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -174.13 157.58 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.15 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 90.5 mt -131.67 138.52 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.36 140.86 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -179.121 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.78 131.64 35.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -106.45 165.02 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.51 -39.89 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.39 -17.13 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.75 -2.86 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.08 20.62 25.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -124.24 96.02 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -120.3 125.31 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -174.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.15 127.86 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -73.14 115.09 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 -174.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.18 16.15 26.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 t -98.39 147.62 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.0 p -102.45 -2.57 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 172.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -97.87 -30.7 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.87 -39.68 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.86 57.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.79 19.97 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.803 0.335 . . . . 0.0 111.18 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.08 117.84 9.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 107.45 -20.12 32.94 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -87.36 164.66 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -172.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -107.58 128.57 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -171.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -91.01 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 174.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.3 t -108.04 115.48 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -100.41 164.45 16.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.5 -28.71 46.13 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.699 1.599 . . . . 0.0 111.201 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.48 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.76 143.45 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 135' ' ' GLY . 91.1 m -73.76 131.91 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -69.76 -26.56 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 133' ' ' THR . . . -65.66 -24.18 71.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 133' ' ' THR . 97.4 p -83.37 -34.55 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 175.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.73 -24.11 22.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.1 p -103.38 -5.0 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 7.5 p -68.65 144.27 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.88 150.57 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.279 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 53.6 t -94.36 112.01 23.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -85.28 113.16 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 tp -97.08 111.09 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -106.76 114.77 29.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.9 ttp -110.53 115.33 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 64.2 m -118.12 96.6 49.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.68 140.02 91.58 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.715 1.61 . . . . 0.0 111.208 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -121.46 161.05 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 13.4 t -152.65 160.7 43.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.0 p -88.17 -13.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 173.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -92.65 98.21 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.208 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -69.64 -13.9 62.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -172.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.93 -20.91 60.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -76.43 141.4 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.2 p -115.81 -0.26 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.76 153.6 14.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.87 154.99 63.07 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.706 1.604 . . . . 0.0 111.169 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -92.36 -177.49 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -46.97 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -54.69 -51.73 64.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.94 -49.17 75.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -177.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.64 -38.88 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.68 -46.55 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.87 -31.55 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.3 mtm -89.03 5.35 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 91.1 p -63.53 -24.32 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.35 -25.59 68.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.15 -41.37 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.187 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.83 -27.75 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -91.12 15.74 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.95 153.61 41.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -54.95 134.33 62.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.663 1.576 . . . . 0.0 111.207 174.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 28.1 p30 -84.08 165.78 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.234 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -154.25 129.7 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.975 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.4 t -69.4 133.69 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.03 26.18 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.26 168.63 42.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 146' ' ' MET . 74.8 m -129.9 147.74 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 111.2 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -115.69 144.58 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -121.76 110.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -123.51 163.8 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 -173.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.44 136.09 12.96 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.6 mt -119.59 135.04 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.174 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -85.39 113.1 48.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 52.5 Cg_exo -60.92 148.59 92.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.1 m -101.25 124.62 47.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.264 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.769 0.318 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.7 m -97.2 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.15 114.16 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -102.54 112.67 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.27 127.82 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -90.21 103.88 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.0 m -57.81 125.27 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -116.37 102.96 53.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -57.39 145.52 87.54 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.721 1.614 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -76.1 85.45 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.32 115.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -95.1 68.95 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.7 145.35 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -67.02 83.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.41 162.84 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -114.53 153.96 29.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -130.4 139.85 50.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -115.15 132.93 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 75' ' ' SER . 59.2 mt -113.35 122.22 46.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -114.8 126.1 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.22 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -90.17 124.31 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.39 154.97 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 140' ' ' VAL . 47.5 t -123.55 114.42 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.0 t -70.03 -46.66 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -170.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.39 -32.1 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.2 mt -94.14 -17.43 22.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 61.68 48.87 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.6 p -130.22 174.69 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -150.61 142.86 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 73' ' ' VAL . 79.8 t -77.19 126.47 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -78.92 1.52 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -167.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.505 ' H ' HG12 ' A' ' 71' ' ' VAL . 76.2 t -105.93 119.07 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 168.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.9 p -107.97 153.0 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 20.4 t -110.31 132.18 54.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 -171.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -116.48 139.21 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -148.64 157.95 43.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -136.58 160.18 39.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.183 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 t -138.23 -169.59 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.5 p -165.99 171.19 5.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 96.7 Cg_exo -52.13 -29.35 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.39 -32.63 7.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -97.32 140.53 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.56 157.02 77.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.31 123.76 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.638 1.559 . . . . 0.0 111.218 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -136.74 140.35 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.52 129.92 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 tp -99.9 -60.82 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -172.61 158.06 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.21 142.49 41.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -132.89 140.89 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.99 139.7 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -176.005 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 74.6 mt -108.56 141.6 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -107.74 162.6 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.57 -38.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.15 -15.54 63.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -87.44 -3.41 59.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.43 20.81 26.19 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.57 98.5 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.33 125.72 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.15 128.84 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -68.04 115.57 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -106.84 25.4 11.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -101.52 146.19 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -99.12 -5.78 29.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.18 -30.47 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -61.92 -39.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.46 -13.8 61.14 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -109.66 25.65 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.16 135.21 51.92 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.92 -16.0 60.01 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.06 159.43 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.184 -174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.32 129.41 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -95.5 130.02 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.3 t -108.07 115.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -100.48 163.99 17.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.55 -28.51 45.8 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.712 1.608 . . . . 0.0 111.205 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.38 -31.95 72.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.239 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.94 146.37 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.6 m -56.83 124.33 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -69.58 -46.21 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.57 -33.47 81.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.6 p -68.05 -19.45 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.198 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.91 69.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -77.94 -8.48 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.442 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 93.4 p -111.4 10.77 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 64' ' ' VAL . 90.9 t -74.61 134.59 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.66 153.7 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.67 115.52 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -90.25 131.74 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.7 tp -112.68 125.72 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -117.64 119.39 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 171.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 66.0 ttp -106.95 125.78 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.19 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.7 m -128.2 91.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.44 140.44 94.58 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.727 1.618 . . . . 0.0 111.184 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.59 145.09 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.9 t -136.51 -174.52 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.8 p -115.98 -5.12 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -87.67 103.75 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.227 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -66.88 -16.22 64.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -91.38 0.32 57.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 59.9 ttm -103.99 127.29 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 74.9 p -117.17 7.92 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -161.14 151.18 14.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.87 156.42 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.216 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.8 p30 -92.41 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.12 -47.6 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -54.42 -50.08 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.48 -44.56 96.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.18 -37.91 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.31 -43.31 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.55 -23.19 60.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -95.67 6.19 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 170' ' ' LEU . 87.2 p -64.08 -20.46 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.07 -28.22 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.66 -24.38 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 167' ' ' SER . 83.1 mt -69.84 -24.06 63.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.92 18.11 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.209 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.03 155.62 49.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.12 142.84 97.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.659 1.573 . . . . 0.0 111.222 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.01 121.87 27.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -139.87 136.17 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.017 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.066 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.845 0.355 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -64.18 134.19 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.61 15.57 28.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 161.12 22.19 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.5 m -123.76 147.15 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -117.08 143.37 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -121.45 109.5 14.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -122.69 159.88 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.26 133.14 11.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -120.49 131.29 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.181 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -80.92 113.65 42.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.54 159.74 32.07 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.176 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -110.81 128.46 55.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -179.739 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.5 p -112.2 158.0 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.1 t -111.84 124.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.32 112.88 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.98 134.02 44.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.6 t -103.61 96.16 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.3 m -65.3 127.07 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -108.6 128.53 25.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.67 143.02 90.79 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.702 1.601 . . . . 0.0 111.213 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -72.77 78.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.82 114.16 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.45 71.66 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -133.64 145.73 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.16 83.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.42 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.6 t -102.28 119.27 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 12.5 m0 -102.35 124.09 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.1 m -118.48 126.29 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.81 135.12 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -130.52 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -86.38 124.78 33.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.25 135.41 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -172.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 140' ' ' VAL . 48.9 t -108.33 113.08 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.9 -43.66 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.38 -30.31 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.69 -14.42 23.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 61.6 45.82 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -153.41 -167.65 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.51 174.16 11.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 63.4 t -88.46 143.11 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 55.4 t0 -76.99 67.39 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -171.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 13.4 p 178.59 144.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -115.46 143.48 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 t -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -112.25 130.52 55.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -172.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 26.3 m-85 -115.67 142.52 46.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -106.64 135.93 47.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -142.66 164.86 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.493 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.8 p -160.54 173.74 4.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.2 Cg_exo -51.8 -28.66 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.698 1.598 . . . . 0.0 111.228 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.71 -30.92 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -95.78 137.85 34.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -171.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.24 156.45 69.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.41 117.06 3.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.667 1.578 . . . . 0.0 111.226 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -132.69 145.16 50.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.5 117.24 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.0 tp -91.91 -55.9 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -166.79 170.22 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.225 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.67 135.39 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.1 mt -130.58 134.99 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.229 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.47 135.85 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -172.013 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.335 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -69.84 136.04 50.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -117.4 174.32 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -175.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.1 t -56.39 -38.49 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.48 -20.98 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.35 -1.73 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.54 17.23 42.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -122.26 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.205 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -126.81 119.71 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.96 130.69 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.41 114.87 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.233 -175.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -103.01 15.81 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -96.17 146.85 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 65.7 p -95.9 -9.15 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.175 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -97.82 -30.91 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.61 -40.29 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.21 57.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -99.26 16.18 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.74 118.46 10.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.45 32.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.31 157.82 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 111.183 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -103.05 127.19 50.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -88.66 132.64 34.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 171.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.1 t -111.52 121.63 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.9 163.8 16.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.74 -26.43 47.21 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.21 -30.12 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.33 142.34 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.3 m -63.68 134.32 55.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.92 -44.04 86.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.15 96.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -59.73 -42.52 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.197 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.11 80.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.23 -20.31 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.5 p -95.97 11.3 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 64' ' ' VAL . 76.4 t -75.45 133.93 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.5 152.47 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.3 t -99.98 116.97 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -96.72 121.94 39.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.18 123.07 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -105.93 116.45 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 67.4 ttp -109.89 111.36 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.8 m -118.58 86.06 28.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.26 143.16 82.6 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.721 1.614 . . . . 0.0 111.185 173.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -147.12 164.37 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.4 t -144.35 -174.95 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.2 p -108.22 -8.51 15.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -85.29 108.24 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.5 p -67.93 -14.06 62.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.97 -4.83 57.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 96.8 mtp -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -117.19 5.95 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.06 153.61 15.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.37 153.99 61.08 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.693 1.595 . . . . 0.0 111.206 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -91.52 -178.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.9 -47.61 80.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -54.43 -50.19 68.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.5 -38.81 91.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.91 -26.26 63.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.2 mtm -92.96 4.31 54.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 86.8 p -63.93 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.44 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.49 -40.06 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.162 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.86 -26.45 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -92.06 16.49 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.29 155.65 44.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.71 141.34 95.53 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.709 1.606 . . . . 0.0 111.218 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.83 141.17 42.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -153.64 122.81 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.963 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -62.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.04 18.42 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.13 131.31 7.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.33 150.14 21.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.174 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -116.21 142.96 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -117.99 113.56 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.75 160.11 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.4 129.37 8.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -127.14 134.71 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -84.96 111.17 33.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.99 158.78 42.05 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.72 1.613 . . . . 0.0 111.22 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 p -119.99 156.12 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 178.498 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.796 0.332 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.6 m -84.92 129.11 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.7 t -103.35 117.45 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.79 133.61 46.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.222 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -121.41 126.64 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.4 116.97 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -63.07 127.8 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 tp -117.17 112.02 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.96 144.41 89.31 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.715 1.61 . . . . 0.0 111.245 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -75.5 83.06 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 64.6 t -105.13 118.08 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -97.55 70.43 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.5 m -133.02 165.06 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 172.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -70.61 82.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.34 159.87 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -122.29 153.41 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -126.9 137.22 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -117.04 127.58 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -103.57 134.45 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -126.94 128.14 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 172.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -88.38 107.46 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.28 132.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -171.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 140' ' ' VAL . 48.6 t -104.83 113.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.5 -43.81 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -67.49 -27.53 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 -174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.35 -12.85 22.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 61.7 45.04 8.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -154.53 -167.36 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.3 p -147.71 163.65 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 97.7 t -80.66 136.58 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 66.0 t0 -70.96 74.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -173.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.2 p 179.55 143.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 173.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.1 p -121.0 147.25 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 t -113.33 131.76 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -110.18 134.68 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -172.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -121.86 156.0 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -141.6 139.98 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.4 t -131.96 -171.46 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.2 p -164.55 172.08 5.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.4 Cg_exo -51.25 -28.91 27.76 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.653 1.569 . . . . 0.0 111.248 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -110.27 -32.77 6.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -96.25 145.99 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.11 156.3 60.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.17 122.75 12.26 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.598 . . . . 0.0 111.16 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -135.12 152.47 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -58.07 117.74 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.2 tp -89.73 -57.01 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -167.31 172.68 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -171.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.35 135.27 35.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -132.62 136.03 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -173.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.56 150.0 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.18 -173.456 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.9 mt -80.79 141.59 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -176.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -105.54 164.65 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.6 t -55.97 -40.76 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.68 -17.19 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -75.64 -16.93 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.04 36.58 0.87 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.61 139.24 41.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 111.22 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -151.55 111.18 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.31 134.19 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.27 113.91 7.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.69 25.33 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.89 139.45 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 p -94.52 -3.98 48.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 173.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -96.85 -32.27 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.25 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.17 -41.81 99.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.88 -6.78 76.9 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -111.99 23.15 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.02 136.24 48.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.37 -25.55 15.36 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.82 146.76 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 111.255 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.26 124.76 48.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -93.55 125.98 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.0 t -106.95 124.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -88.06 155.78 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.09 -16.77 53.44 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.735 1.623 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.56 -24.76 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.99 146.41 28.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -64.48 125.62 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.5 p -74.51 -26.64 60.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.54 -33.77 88.11 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.8 p -81.21 -32.51 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.6 83.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.03 -13.21 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.3 p -103.77 13.03 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 64' ' ' VAL . 79.7 t -74.43 130.4 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.39 154.98 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 46.8 t -101.71 120.77 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -98.09 123.06 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -107.47 122.23 46.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -174.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -107.38 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.8 ttp -105.19 118.26 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 77.0 m -122.99 92.39 49.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.02 145.99 51.27 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.733 1.622 . . . . 0.0 111.178 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -113.9 168.66 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.18 -168.79 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 169.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.2 -9.05 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -96.98 109.04 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -17.32 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.47 -18.23 60.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.8 mtp -81.52 133.87 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.9 p -118.87 5.56 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.46 152.66 12.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.68 155.68 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.716 1.611 . . . . 0.0 111.211 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -90.54 -178.07 5.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.84 -47.24 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.23 -50.69 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.02 -42.2 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.15 -39.32 92.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.63 -43.34 84.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -28.05 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.71 6.58 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -63.56 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -26.52 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.91 -39.51 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.92 -25.45 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.3 6.02 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.51 154.54 71.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.93 143.36 92.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -79.06 141.66 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -162.14 113.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -56.32 135.95 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.02 16.82 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 159.0 20.08 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.48 145.72 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.212 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -115.58 143.64 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -118.22 112.28 19.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -174.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.89 158.07 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.95 131.12 9.58 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.2 mt -127.97 134.24 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -84.24 115.66 61.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.257 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.69 157.14 56.28 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.746 1.631 . . . . 0.0 111.204 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -124.98 163.82 21.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.243 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.453 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 80.2 m -84.28 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.05 117.17 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -101.95 133.19 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -140.76 132.3 27.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -99.64 152.12 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.0 m -90.08 119.36 30.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.09 114.1 65.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.75 132.71 47.59 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.712 1.608 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.09 76.75 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.234 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -96.17 119.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.21 76.52 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.25 167.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.05 82.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.23 154.52 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -122.93 156.52 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 173.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 31.2 m-90 -126.09 138.23 53.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.23 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -119.99 123.41 43.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 60' ' ' LEU . 8.5 tt -111.7 119.87 40.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 87.6 tt0 -106.61 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -81.83 105.51 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.95 137.71 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -171.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.55 112.58 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 70.3 t -68.69 -42.54 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.219 -170.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.67 -27.61 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -93.58 -15.03 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.65 43.77 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.51 -167.48 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.7 p -148.46 168.24 23.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.28 141.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -73.3 70.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -172.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p 177.52 144.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 176.706 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.1 p -118.03 143.82 46.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 t -106.9 124.91 50.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -103.56 137.63 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 32.7 m-85 -127.79 152.79 47.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -141.66 138.48 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.6 p -130.91 -175.9 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.4 p -160.08 173.1 5.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 95.2 Cg_exo -52.03 -28.14 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.696 1.597 . . . . 0.0 111.188 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.4 -31.37 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -99.15 141.87 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 -171.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -80.92 156.13 72.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.94 123.24 13.3 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.667 1.578 . . . . 0.0 111.175 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.2 154.62 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.56 116.83 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.4 tp -88.54 -57.95 2.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.83 167.7 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.44 133.08 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.48 135.51 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.18 140.27 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -169.532 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.855 0.359 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.85 142.3 31.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -108.68 164.72 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.92 -39.93 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.25 -15.65 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.39 -4.16 59.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.72 18.18 30.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.86 98.44 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -125.81 124.57 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.62 132.47 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.15 112.99 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -102.97 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.21 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t -94.69 143.71 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -99.11 -4.98 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -97.49 -30.83 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.25 -38.59 89.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.92 -13.23 65.29 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -109.28 24.88 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 111.219 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.45 136.57 50.57 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 102.39 -20.87 43.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.81 153.01 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 111.181 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -101.6 126.1 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -89.45 126.0 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.453 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 87.1 t -106.51 119.45 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 177.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -89.07 155.33 49.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.59 -18.06 53.6 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.631 1.554 . . . . 0.0 111.206 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.24 -24.4 63.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.95 148.48 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -65.35 130.88 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -76.22 -28.82 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.94 92.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -66.95 -43.25 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.198 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.23 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -21.82 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . 0.422 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.5 p -106.95 17.79 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -173.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.4 t -74.43 129.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 175.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.97 155.07 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 82.3 m -96.82 119.94 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 67.4 ttt180 -92.12 105.45 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.217 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.47 118.26 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -169.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -104.85 116.02 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.8 ttp -105.03 119.27 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.99 86.45 56.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.84 147.81 79.05 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.679 1.586 . . . . 0.0 111.233 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -145.07 163.35 34.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.01 -168.82 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.6 p -114.79 -11.06 12.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -84.48 101.94 12.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.2 p -67.83 -14.65 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.89 -18.4 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.17 135.89 35.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.3 p -114.65 1.37 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 173.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -166.03 154.62 10.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.62 153.15 69.94 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.688 1.592 . . . . 0.0 111.213 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -91.19 -178.79 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.62 -47.61 79.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.245 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -54.41 -50.0 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.64 -44.1 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.17 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.22 -44.11 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.39 -30.72 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -92.59 5.97 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.7 p -62.93 -25.97 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.05 -26.63 68.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.71 -39.76 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.1 mt -66.74 -24.65 66.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -174.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -90.26 12.06 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.43 155.4 62.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.88 141.46 93.09 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.193 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.85 142.36 36.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -162.16 113.61 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 174.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -176.603 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -59.57 133.98 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.7 mt -109.19 26.38 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.26 173.13 28.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.66 147.56 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.18 145.48 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.55 112.92 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -123.59 160.2 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.25 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.17 133.38 11.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -122.99 132.24 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -81.09 113.8 43.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.38 159.6 36.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.61 . . . . 0.0 111.184 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -108.66 127.78 54.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.41 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.339 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -112.12 158.8 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.8 125.82 69.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.6 111.74 24.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -98.23 128.92 44.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -172.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -103.77 92.6 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.1 m -71.58 128.82 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 79.9 mt -110.0 139.7 21.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 69.3 Cg_exo -58.76 149.0 80.29 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.705 1.603 . . . . 0.0 111.223 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -74.5 81.11 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.6 t -101.8 114.5 41.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.2 68.87 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.48 149.72 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.41 82.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.72 154.29 37.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 t -108.62 142.83 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -122.27 131.65 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.229 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -117.29 127.72 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.78 131.63 50.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -127.72 126.1 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.01 123.77 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.6 134.44 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 140' ' ' VAL . 48.4 t -107.36 113.59 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.62 -43.26 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.7 -29.76 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.7 mt -97.05 -14.32 21.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 61.43 46.1 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -153.75 -168.06 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.98 172.11 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 73' ' ' VAL . 64.6 t -87.16 143.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 51.4 t0 -78.04 64.63 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -170.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 11.6 p 178.25 143.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.2 p -118.14 149.28 41.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 t -114.23 132.78 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.02 134.12 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -119.74 152.37 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -139.86 141.98 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.183 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -138.04 -171.24 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -168.34 172.17 3.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.5 Cg_exo -51.44 -29.22 30.39 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.72 1.614 . . . . 0.0 111.18 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -108.99 -31.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.9 t -98.18 143.93 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.37 157.57 53.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.88 121.33 9.66 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.665 1.577 . . . . 0.0 111.213 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.79 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -57.83 116.8 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 tp -89.19 -58.71 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -164.66 164.66 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -172.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 133.35 48.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 172.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.47 133.38 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.0 136.22 56.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -171.85 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.36 137.26 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 -174.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -117.94 174.34 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -56.66 -38.18 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.7 -21.09 60.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -92.13 -1.96 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.8 17.59 40.75 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.79 99.76 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -128.05 120.39 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.9 131.37 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.7 116.85 8.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -106.83 20.46 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -99.15 146.65 25.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.2 p -95.23 -9.42 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -97.89 -31.44 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.51 -40.42 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.17 -13.21 60.32 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.03 13.92 31.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.207 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.68 118.07 10.0 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.75 -20.43 24.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -91.02 157.83 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.186 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.3 tp -102.37 127.38 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.207 -170.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 171.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.34 121.65 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -107.17 163.71 16.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.43 -27.01 47.13 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.47 -30.88 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.53 142.49 34.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.0 m -64.36 134.28 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.9 m -65.13 -44.37 88.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.83 -45.36 95.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -59.75 -42.18 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.07 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.19 -21.17 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.5 p -93.93 8.84 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.245 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 64' ' ' VAL . 79.4 t -73.7 133.75 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.62 153.31 51.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.5 t -100.49 117.57 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -95.76 122.81 38.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.9 tp -107.08 123.01 47.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -107.71 115.79 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.76 114.8 29.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 76.8 m -121.75 89.13 47.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -176.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 59.0 Cg_endo -67.54 151.38 79.8 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.709 1.606 . . . . 0.0 111.196 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -145.6 162.42 37.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.225 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.3 t -142.99 -174.2 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.8 p -107.13 -11.9 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -86.5 106.7 17.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -67.57 -15.31 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.8 -14.78 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -84.88 134.38 34.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.9 p -116.47 4.34 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.44 153.55 14.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -70.02 152.16 67.84 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.735 1.623 . . . . 0.0 111.156 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -90.7 -178.12 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.73 -47.97 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.73 -50.33 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -39.07 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.17 -43.39 87.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.07 -22.98 60.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 73.7 mtm -97.28 6.02 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -64.15 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -173.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.2 -26.27 68.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.208 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 83.1 t -91.94 -39.64 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.53 -26.17 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.248 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.97 5.69 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.1 mt -81.04 154.87 72.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.98 141.24 93.86 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.682 1.588 . . . . 0.0 111.194 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.78 137.99 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -162.03 113.43 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -77.44 87.61 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -63.06 137.13 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.266 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.49 18.01 23.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.85 130.84 6.88 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -96.49 150.15 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.24 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -115.89 142.95 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -123.52 158.7 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 130.91 9.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -127.18 135.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.218 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -82.17 117.32 67.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.8 159.4 38.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.708 1.605 . . . . 0.0 111.178 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -121.5 153.67 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.242 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -89.95 126.59 35.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -97.9 121.15 58.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.222 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.4 132.4 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.683 1.588 . . . . 0.0 111.182 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -163.15 151.15 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.9 p -75.88 -13.07 60.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.66 132.37 95.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -53.2 -34.36 68.96 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.717 1.611 . . . . 0.0 111.172 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -79.9 142.62 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 86.1 m -83.32 131.91 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.11 112.6 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.44 117.48 35.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.4 133.63 51.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -98.56 120.99 39.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -62.72 128.31 35.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 tp -122.53 109.4 32.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -57.04 144.63 89.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.727 1.618 . . . . 0.0 111.17 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.24 82.68 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 61.6 t -104.76 117.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -97.04 70.17 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.4 m -133.07 165.28 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -70.45 83.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.73 157.93 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -121.91 155.02 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -127.28 136.21 51.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -116.89 127.73 54.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -103.77 133.8 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -125.06 123.26 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -84.08 122.17 28.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.0 t -120.37 134.29 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 140' ' ' VAL . 54.8 t -108.85 113.38 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.61 -42.49 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.83 -28.39 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.8 -14.2 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 61.37 45.41 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.53 -168.66 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.1 p -146.89 164.3 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.29 136.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -71.88 74.01 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.7 p 179.49 144.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.53 142.39 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 176.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 t -113.06 131.93 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -113.92 133.45 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -170.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -118.84 159.54 23.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.91 138.54 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -130.73 -172.37 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.4 p -163.69 171.97 5.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.5 Cg_exo -51.44 -28.74 28.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.704 1.603 . . . . 0.0 111.203 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -110.3 -32.82 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t -96.33 145.6 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.2 156.28 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.16 123.02 12.76 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.66 1.573 . . . . 0.0 111.19 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -135.37 152.38 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.01 117.53 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 tp -88.99 -57.24 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -167.81 173.88 7.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.47 132.03 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.19 134.4 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 143.63 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -81.6 71.6 8.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -171.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.46 -48.29 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.254 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -145.63 143.32 19.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.11 150.07 53.33 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.673 1.582 . . . . 0.0 111.18 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.5 mmm -103.38 -1.94 27.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.88 67.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.38 -143.35 16.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.4 mt -111.92 160.07 17.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -142.25 -84.85 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p 55.67 33.41 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.2 164.02 13.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -70.91 83.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.23 148.82 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.17 141.82 33.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -105.72 164.37 11.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.89 -41.65 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.88 -15.32 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -84.23 -4.15 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.38 32.12 5.31 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.33 88.2 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 0.0 111.254 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -112.95 108.43 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.7 t -81.75 131.72 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.73 115.63 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -111.11 24.9 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -96.34 138.94 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.7 p -94.28 -5.23 47.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.41 -32.14 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.3 -40.51 97.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.63 -6.98 77.63 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.95 24.37 12.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.27 136.2 49.68 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.92 -24.23 21.92 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.64 147.66 39.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.05 124.77 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -91.71 119.55 31.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 99.2 t -101.37 122.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.81 154.41 55.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -67.45 -17.04 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.07 -24.29 63.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.206 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.08 147.19 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.5 m -63.59 126.69 28.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -72.86 -27.48 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.54 -41.09 99.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.1 p -74.46 -30.41 61.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.92 93.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.84 -17.84 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p -95.72 7.27 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 64' ' ' VAL . 74.2 t -71.57 132.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.08 155.36 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.7 120.99 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -96.52 119.97 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 59.7 tp -108.93 123.01 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -109.89 118.02 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 170.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.09 118.52 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 73.9 m -123.28 92.27 49.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -71.02 146.01 51.31 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.736 1.624 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.06 169.55 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.43 -168.65 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.45 -8.68 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -97.71 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.19 -17.37 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.12 -18.71 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.55 133.46 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.1 p -118.75 5.83 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.48 152.65 12.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.9 155.93 57.15 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.613 . . . . 0.0 111.2 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -90.19 -177.98 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -57.04 -47.27 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.17 -50.72 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -64.11 -42.11 96.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.1 -39.25 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.99 -28.15 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.9 mtm -93.84 5.88 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 93.3 p -63.67 -25.61 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.28 -25.36 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.66 -39.31 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.08 -24.51 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.22 15.24 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.1 156.71 51.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.93 143.29 92.45 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.716 1.61 . . . . 0.0 111.18 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.17 140.23 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -162.46 112.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.008 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.884 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -77.52 87.29 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t -63.87 137.32 57.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.72 17.93 23.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 131.95 7.34 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -97.49 149.96 21.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 0.0 111.2 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -115.92 142.39 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -117.67 112.94 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.24 158.08 28.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.49 128.98 8.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.6 mt -127.68 133.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -82.14 118.61 72.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -75.89 158.06 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -122.03 157.29 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.0 126.81 33.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.02 121.3 68.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.34 126.89 23.7 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.718 1.612 . . . . 0.0 111.153 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -165.92 150.5 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.3 p -78.92 -10.47 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.77 131.1 94.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.73 -34.06 72.86 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.736 1.624 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -78.03 144.38 36.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -84.9 127.46 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -104.28 115.41 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -100.76 126.8 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -112.01 129.92 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.196 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -97.1 116.73 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.9 m -63.61 127.42 31.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -119.99 110.05 36.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -55.55 139.66 82.74 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.704 1.603 . . . . 0.0 111.235 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -75.89 81.73 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.81 110.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -88.56 75.46 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.73 166.9 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -71.12 82.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.62 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -123.24 155.36 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -125.87 137.93 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -117.09 121.9 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.223 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.73 131.89 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.216 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -126.9 127.95 45.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -87.41 107.91 18.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.59 135.43 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -171.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.0 t -108.74 113.83 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.5 t -70.27 -43.27 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -171.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.36 -27.75 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -174.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.81 -13.12 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 61.7 44.94 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.34 -167.38 2.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.8 p -148.26 164.19 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 95.1 t -79.08 135.31 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 65.9 t0 -70.42 74.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.6 p -179.27 143.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.1 p -118.13 142.1 47.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -111.65 131.27 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -113.06 133.8 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -170.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 170.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -143.29 138.69 29.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.4 p -132.09 -173.43 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.241 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 16.8 p -156.41 172.08 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 90.2 Cg_exo -51.15 -27.46 22.41 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.739 1.626 . . . . 0.0 111.18 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.72 -33.51 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -95.88 138.77 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -75.69 158.93 82.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -56.08 122.53 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.668 1.579 . . . . 0.0 111.218 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.31 150.56 50.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.06 117.42 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.1 tp -87.35 -58.23 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -168.76 174.37 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -171.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.34 22.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -131.07 135.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 142.46 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -82.14 69.94 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -171.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -66.71 -49.5 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -138.98 142.84 34.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 -176.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.41 158.25 40.68 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.653 1.569 . . . . 0.0 111.224 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.1 mmm -108.62 12.34 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -133.58 47.27 2.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.42 -116.23 5.5 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -114.28 161.24 18.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -174.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 68.4 ttp85 -141.9 -84.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p 55.66 33.5 21.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 101' ' ' ARG . 99.3 mttt -94.83 150.85 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 -175.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -72.91 84.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.92 153.66 30.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.5 mt -80.65 141.69 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -105.48 164.18 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.0 -40.95 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.65 -17.21 62.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -75.93 -16.78 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.12 36.69 0.85 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.53 139.61 42.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -151.77 110.87 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.27 133.69 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.91 113.98 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -108.8 23.56 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.68 139.35 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -94.4 -4.55 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.56 -32.16 12.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -62.74 -41.42 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.81 77.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -112.15 23.29 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 111.202 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.05 135.89 48.64 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 109.23 -24.97 19.58 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.48 146.73 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.266 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.1 tp -101.3 125.2 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -92.59 125.53 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.72 125.29 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.256 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -91.91 155.35 43.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.197 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.88 -16.06 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 0.0 111.226 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.86 -24.21 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.65 146.24 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.8 m -64.15 125.5 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -73.17 -27.68 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.231 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.54 -35.86 92.6 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -79.78 -33.66 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.22 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.37 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.87 -20.85 66.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.412 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 97.2 p -105.75 17.59 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -173.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.26 127.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -134.78 155.17 51.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 49.1 t -99.94 119.07 37.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -97.81 121.38 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.37 120.8 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.215 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -104.83 115.85 31.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.0 ttp -104.57 117.71 34.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 80.5 m -122.57 91.8 49.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 -176.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -70.86 146.08 52.45 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.709 1.606 . . . . 0.0 111.172 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -113.33 169.29 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.04 -168.71 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.0 p -123.39 -8.07 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -98.93 108.81 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.11 -17.4 64.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.03 -18.52 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.69 133.68 35.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.0 p -118.93 5.87 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.69 152.56 11.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.87 155.85 57.37 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.685 1.59 . . . . 0.0 111.18 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -90.58 -177.97 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.87 -47.11 81.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -54.38 -50.48 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.61 -39.12 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.81 -43.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.02 -31.72 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -91.98 6.89 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.1 p -63.37 -25.36 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.181 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 91.9 t -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.205 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.38 -25.2 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.08 5.74 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.4 mt -80.9 154.83 73.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.02 142.44 94.06 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.696 1.598 . . . . 0.0 111.191 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.08 142.52 36.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -162.11 113.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.979 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.681 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -96.73 123.69 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -73.28 132.82 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.87 32.23 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.95 -167.89 24.36 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 t -163.35 135.47 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -105.96 156.17 18.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 -175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.42 112.5 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.16 146.83 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.8 110.71 4.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.24 134.28 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -90.56 115.25 63.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -57.92 144.21 94.52 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.743 1.629 . . . . 0.0 111.248 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -101.92 125.26 48.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -78.01 117.42 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 44' ' ' VAL . 90.2 t -113.08 125.71 29.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.4 155.79 45.81 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.211 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -156.84 154.44 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.5 p -69.53 -17.42 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.76 154.5 91.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.8 61.32 6.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.665 1.577 . . . . 0.0 111.244 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -174.87 154.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.7 m -108.54 137.8 45.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 81.3 t -100.08 119.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.17 116.16 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.2 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -104.63 131.69 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.68 118.31 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -62.91 130.87 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 tp -137.02 112.12 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.234 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.37 135.8 66.85 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -79.91 75.83 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.1 t -99.93 119.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.89 74.91 8.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.217 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.16 165.57 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -71.51 84.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.67 161.3 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -137.35 157.48 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 25.8 m-90 -127.03 137.79 53.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 -172.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 110.71 20.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.7 mp -95.78 109.61 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -175.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 83.5 tt0 -95.38 119.42 33.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -85.91 106.22 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.23 135.77 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 140' ' ' VAL . 60.4 t -111.44 112.37 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 69.2 t -69.46 -41.24 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -173.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -59.21 -36.85 76.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' H ' HG12 ' A' ' 64' ' ' VAL . 93.3 mt -96.55 -13.98 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -177.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.73 46.49 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -154.07 -169.97 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.6 m -134.83 166.11 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 73' ' ' VAL . 65.4 t -81.18 145.32 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -79.11 11.46 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -168.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 71' ' ' VAL . 7.6 p -148.52 136.28 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.8 p -108.03 168.75 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -108.49 119.21 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -106.04 123.74 48.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -112.87 158.37 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.223 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -146.78 135.86 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.9 t -117.57 -169.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 28.8 t -163.09 153.01 13.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -49.16 -28.43 14.39 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.605 . . . . 0.0 111.24 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -125.69 36.76 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 47.3 t -168.18 142.56 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 172.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -74.15 161.02 80.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -56.73 127.37 25.61 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.721 1.614 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.33 147.08 51.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.65 118.91 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.76 -51.04 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.15 160.49 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.89 143.18 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.2 mt -119.53 123.14 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.71 146.3 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -102.52 31.55 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -79.49 -34.49 41.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.3 m -130.23 100.83 18.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -71.79 -177.36 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.676 1.584 . . . . 0.0 111.231 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.6 mmm -78.06 -9.41 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -130.42 67.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.1 -151.04 19.39 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 88.3 mt -106.42 154.16 21.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.232 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -73.72 117.37 15.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.7 p -103.8 -12.86 16.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.19 134.88 54.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -70.85 84.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.234 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.07 157.71 16.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.0 137.56 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.226 -171.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.43 165.44 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.15 -38.88 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.84 -16.86 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.74 -3.1 58.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.81 19.97 30.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.07 98.43 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -126.03 123.06 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.0 128.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -72.52 114.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.21 14.45 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.23 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -99.2 151.04 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.219 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -110.1 3.4 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 172.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.47 -30.95 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.66 -39.64 92.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.7 56.86 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -99.59 19.4 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.88 118.24 10.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.53 -18.07 41.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -82.0 154.77 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.7 tp -101.93 123.21 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -84.71 133.32 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.31 118.86 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 173.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.52 163.6 16.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.231 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.02 -27.77 47.01 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.698 1.599 . . . . 0.0 111.161 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.252 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.42 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.5 m -66.45 134.21 52.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.4 p -75.06 -30.54 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -173.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.11 -40.32 96.85 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.6 m -64.93 -41.89 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.219 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.39 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.95 -13.29 61.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.406 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.8 p -105.99 13.62 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 77.6 t -73.52 131.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -132.79 145.94 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 44.0 t -99.92 112.49 24.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 68.4 ttt180 -88.78 106.99 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.7 tp -93.54 99.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 79.4 ttt180 -89.36 106.75 18.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.3 ttp -104.73 107.47 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 79.8 m -110.08 100.63 44.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 72.2 Cg_endo -73.24 145.33 38.66 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.699 1.6 . . . . 0.0 111.167 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -124.15 160.93 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -153.36 -168.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.9 p -122.3 -8.92 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -90.0 101.94 14.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -67.16 -15.79 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.35 -19.02 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.1 mtp -82.49 136.63 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.22 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.5 p -113.6 1.86 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -165.59 156.04 11.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.55 144.6 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.705 1.603 . . . . 0.0 111.188 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -89.1 -178.5 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -48.88 70.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -54.14 -50.52 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.6 mtp -63.24 -44.19 95.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.8 -38.57 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.89 -47.66 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.54 -30.22 69.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 97.2 mtp -94.35 4.9 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 92.8 p -59.74 -30.14 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -173.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -48.89 77.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.09 -30.24 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.9 -29.37 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -90.69 21.68 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.6 154.17 44.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.45 144.3 92.16 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.662 1.575 . . . . 0.0 111.164 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.3 152.07 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -87.83 93.38 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.192 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.778 0.323 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.77 120.64 37.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -66.07 133.27 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.4 mt -104.38 18.49 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.82 171.78 26.52 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.02 143.79 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -112.89 143.91 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -119.11 110.3 16.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -122.73 160.63 25.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.79 133.26 11.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -123.03 132.9 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -80.41 114.16 45.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.53 160.83 34.85 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.707 1.604 . . . . 0.0 111.201 -175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -109.61 127.96 54.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -88.23 124.08 33.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.75 127.59 26.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.15 156.72 46.81 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.718 1.612 . . . . 0.0 111.205 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -152.93 154.78 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -70.21 -17.73 63.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.39 158.46 87.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.27 60.8 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.714 1.609 . . . . 0.0 111.159 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 178.53 148.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -171.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -111.63 157.99 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.22 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.5 t -111.84 125.2 69.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.93 113.98 27.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.73 134.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.78 91.7 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.6 m -69.69 128.3 35.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -109.0 137.42 20.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -58.12 144.54 94.93 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.666 1.578 . . . . 0.0 111.211 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -77.01 82.78 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.439 HG12 HG22 ' A' ' 54' ' ' VAL . 65.0 t -107.38 111.26 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -91.32 74.73 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 52' ' ' VAL . 21.6 m -135.23 167.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.13 82.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.28 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -125.81 147.26 49.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -121.85 136.0 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -116.27 126.88 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -106.21 134.75 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -130.09 128.43 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 168.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -86.96 124.27 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -117.22 133.51 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 140' ' ' VAL . 47.4 t -106.92 108.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.198 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.2 -41.29 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -60.18 -38.39 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' H ' HG12 ' A' ' 64' ' ' VAL . 97.9 mt -93.93 -12.58 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 61.88 46.19 6.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.74 -167.06 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -147.56 168.96 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 87.3 t -86.4 144.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -80.71 45.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.68 134.91 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.5 p -111.03 135.62 51.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 170.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.7 t -113.18 130.55 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -117.34 159.21 23.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -145.78 139.67 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.1 t -134.8 -169.15 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 13.0 p -166.88 173.09 3.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.5 Cg_exo -51.77 -29.59 34.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.73 1.62 . . . . 0.0 111.212 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.88 -31.16 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.6 t -97.07 144.86 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.83 155.79 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.27 121.2 9.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.647 1.565 . . . . 0.0 111.21 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -133.7 149.73 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.1 116.86 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.34 -56.74 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.207 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -166.35 170.05 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.75 136.45 40.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -130.98 136.73 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.5 138.1 57.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -79.24 77.37 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -80.65 -28.4 36.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.24 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.8 m -123.94 116.9 27.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.237 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.99 174.75 12.34 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.689 1.593 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.7 -24.3 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.225 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.66 64.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.88 -118.28 6.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.21 158.9 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -118.34 153.95 33.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.9 p -112.98 -23.33 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.09 155.7 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -98.03 143.72 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.61 175.25 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.0 mt -68.33 138.75 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.49 176.02 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.24 -29.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -61.73 -21.33 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -96.83 -1.56 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.72 18.66 47.12 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.04 104.53 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.232 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -131.2 119.09 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.7 135.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.56 112.96 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -102.84 15.66 28.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -94.89 146.18 24.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 p -95.34 -9.44 32.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -98.01 -31.24 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -174.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.06 -40.94 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.67 -13.25 59.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.58 17.0 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.57 118.45 10.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -173.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.63 -18.25 32.46 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.51 158.96 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.8 tp -103.39 127.82 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 -169.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -89.48 131.89 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -106.98 164.06 15.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.94 -26.46 49.05 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.705 1.604 . . . . 0.0 111.206 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.68 142.01 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.6 m -64.22 135.63 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.49 -44.05 88.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.78 96.84 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.5 m -59.58 -42.82 93.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.43 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.85 -18.96 62.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.1 p -94.08 6.98 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 64' ' ' VAL . 76.1 t -73.24 134.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.88 153.39 51.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.0 t -100.08 119.24 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.22 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -96.58 121.62 38.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.231 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.24 125.7 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -109.84 115.6 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.3 ttp -102.91 113.86 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.6 m -120.8 88.41 43.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.56 151.43 75.29 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -145.04 162.84 35.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -142.39 -177.17 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.9 p -106.7 -8.43 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -81.97 104.99 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.236 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -66.99 -16.05 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.16 2.1 56.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 60.2 ttm -103.2 127.47 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 78.9 p -117.11 6.07 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -160.98 152.39 16.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.3 152.49 61.25 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.717 1.611 . . . . 0.0 111.189 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -91.45 -178.36 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -47.0 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -54.08 -51.1 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -63.63 -43.25 97.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -38.97 92.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.04 -43.94 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.36 -30.35 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.68 4.29 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.2 p -63.3 -25.33 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -26.28 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.76 -39.96 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.0 mt -64.44 -27.77 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -175.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -85.16 4.93 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.0 mt -81.57 153.63 70.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.89 142.13 96.27 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.695 1.597 . . . . 0.0 111.2 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -76.98 141.28 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -155.06 126.81 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.051 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -99.19 128.52 45.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -75.0 134.06 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -108.37 31.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -172.51 24.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.7 t -163.29 136.5 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -106.96 150.73 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -123.53 114.71 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 174' ' ' ASN . 73.8 mmtt -120.68 163.5 17.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.87 126.15 7.69 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 142' ' ' CYS . 47.5 mm -113.27 131.92 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -82.3 114.69 53.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.46 141.2 94.96 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.691 1.594 . . . . 0.0 111.167 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.8 m -102.35 119.74 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -78.72 116.59 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -114.29 126.64 27.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.17 154.14 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.707 1.604 . . . . 0.0 111.181 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -154.73 153.47 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.242 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -69.85 -16.84 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.28 154.2 92.08 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.93 64.0 6.8 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.704 1.603 . . . . 0.0 111.196 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 179.93 148.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.223 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.8 m -99.73 137.63 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.8 t -99.14 117.71 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.65 111.46 23.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.88 128.43 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -100.49 115.44 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -65.41 129.76 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.7 tp -134.56 111.37 11.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -54.7 136.09 69.81 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.689 1.593 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.41 74.93 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.9 123.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.93 75.59 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.88 162.71 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -72.14 82.4 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.27 159.11 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -122.01 156.26 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 -128.4 138.38 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -117.21 127.68 54.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -107.98 113.75 27.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -107.28 122.79 47.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -86.06 106.65 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.14 132.67 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 67' ' ' LEU . 63.5 t -106.6 121.71 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -174.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.78 -48.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.51 -26.91 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' H ' HG12 ' A' ' 64' ' ' VAL . 95.0 mt -96.63 -18.44 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.49 46.15 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.33 -168.9 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t -145.21 149.55 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 73' ' ' VAL . 95.8 t -72.63 140.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -79.7 8.39 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -166.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 71' ' ' VAL . 95.5 t -129.08 135.14 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 171.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.2 p -115.93 157.18 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 175.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -110.97 129.75 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -110.34 132.74 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -117.76 159.29 23.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -144.72 137.66 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.8 t -133.18 -168.7 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -163.15 172.43 5.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.9 Cg_exo -52.14 -28.31 32.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.663 1.575 . . . . 0.0 111.224 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.91 -31.28 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.4 t -97.48 145.05 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -171.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.05 154.45 72.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.09 124.0 15.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.685 1.59 . . . . 0.0 111.21 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -133.99 150.41 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.98 116.86 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 tp -83.97 -58.05 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -174.13 157.58 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.15 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 90.5 mt -131.67 138.52 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.36 140.86 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -77.55 72.54 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -63.32 -37.9 89.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -170.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -155.51 143.62 14.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.99 167.19 26.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.703 1.602 . . . . 0.0 111.213 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.4 mmm -81.12 -12.08 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -102.37 63.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.06 -120.81 9.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -114.5 151.75 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.236 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -72.06 149.61 44.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.4 p -110.86 -24.73 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -106.41 164.21 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -79.11 144.35 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.0 152.03 28.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.78 131.64 35.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -106.45 165.02 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.51 -39.89 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.39 -17.13 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.75 -2.86 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.08 20.62 25.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -124.24 96.02 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -120.3 125.31 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -174.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.15 127.86 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -73.14 115.09 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 -174.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.18 16.15 26.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 t -98.39 147.62 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.0 p -102.45 -2.57 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 172.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -97.87 -30.7 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.87 -39.68 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.86 57.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.79 19.97 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.803 0.335 . . . . 0.0 111.18 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.08 117.84 9.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 107.45 -20.12 32.94 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -87.36 164.66 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -172.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -107.58 128.57 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -171.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -91.01 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 174.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.3 t -108.04 115.48 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -100.41 164.45 16.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.5 -28.71 46.13 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.699 1.599 . . . . 0.0 111.201 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.48 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.76 143.45 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 135' ' ' GLY . 91.1 m -73.76 131.91 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -69.76 -26.56 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 133' ' ' THR . . . -65.66 -24.18 71.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 133' ' ' THR . 97.4 p -83.37 -34.55 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 175.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.73 -24.11 22.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.1 p -103.38 -5.0 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 7.5 p -68.65 144.27 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.88 150.57 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.279 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 53.6 t -94.36 112.01 23.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -85.28 113.16 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 tp -97.08 111.09 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -106.76 114.77 29.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.9 ttp -110.53 115.33 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 64.2 m -118.12 96.6 49.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.68 140.02 91.58 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.715 1.61 . . . . 0.0 111.208 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -121.46 161.05 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 13.4 t -152.65 160.7 43.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.0 p -88.17 -13.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 173.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -92.65 98.21 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.208 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -69.64 -13.9 62.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -172.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.93 -20.91 60.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -76.43 141.4 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.2 p -115.81 -0.26 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.76 153.6 14.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.87 154.99 63.07 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.706 1.604 . . . . 0.0 111.169 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -92.36 -177.49 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -46.97 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -54.69 -51.73 64.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.94 -49.17 75.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -177.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.64 -38.88 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.68 -46.55 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.87 -31.55 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.3 mtm -89.03 5.35 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 91.1 p -63.53 -24.32 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.35 -25.59 68.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.15 -41.37 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.187 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.83 -27.75 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -91.12 15.74 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.95 153.61 41.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -54.95 134.33 62.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.663 1.576 . . . . 0.0 111.207 174.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 28.1 p30 -84.08 165.78 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.234 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -154.25 129.7 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.975 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.786 0.327 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -118.18 129.12 55.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.4 t -69.4 133.69 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.03 26.18 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.26 168.63 42.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 146' ' ' MET . 74.8 m -129.9 147.74 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 111.2 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -115.69 144.58 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -121.76 110.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -123.51 163.8 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 -173.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.44 136.09 12.96 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.6 mt -119.59 135.04 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.174 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -85.39 113.1 48.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 52.5 Cg_exo -60.92 148.59 92.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.1 m -101.25 124.62 47.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -77.57 117.11 18.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.35 125.32 28.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.6 154.59 44.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.701 1.6 . . . . 0.0 111.22 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.6 t -155.5 151.63 27.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.7 p -71.71 -15.43 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.88 155.16 93.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.87 64.09 6.76 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.718 1.612 . . . . 0.0 111.234 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 179.75 147.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.235 -172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.7 m -97.2 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.15 114.16 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -102.54 112.67 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.27 127.82 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -90.21 103.88 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.0 m -57.81 125.27 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -116.37 102.96 53.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -57.39 145.52 87.54 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.721 1.614 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -76.1 85.45 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.32 115.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -95.1 68.95 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.7 145.35 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -67.02 83.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.41 162.84 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -114.53 153.96 29.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -130.4 139.85 50.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -115.15 132.93 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 75' ' ' SER . 59.2 mt -113.35 122.22 46.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -114.8 126.1 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.22 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -90.17 124.31 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.39 154.97 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 140' ' ' VAL . 47.5 t -123.55 114.42 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.0 t -70.03 -46.66 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -170.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.39 -32.1 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.2 mt -94.14 -17.43 22.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 61.68 48.87 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.6 p -130.22 174.69 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -150.61 142.86 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 73' ' ' VAL . 79.8 t -77.19 126.47 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -78.92 1.52 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -167.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.505 ' H ' HG12 ' A' ' 71' ' ' VAL . 76.2 t -105.93 119.07 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 168.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.9 p -107.97 153.0 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 20.4 t -110.31 132.18 54.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 -171.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -116.48 139.21 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -148.64 157.95 43.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -136.58 160.18 39.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.183 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 t -138.23 -169.59 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.5 p -165.99 171.19 5.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 96.7 Cg_exo -52.13 -29.35 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.39 -32.63 7.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -97.32 140.53 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.56 157.02 77.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.31 123.76 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.638 1.559 . . . . 0.0 111.218 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -136.74 140.35 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.52 129.92 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 tp -99.9 -60.82 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -172.61 158.06 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.21 142.49 41.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -132.89 140.89 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.99 139.7 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -78.47 82.7 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -85.13 -25.44 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.2 m -132.79 131.61 22.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -49.83 117.57 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.18 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 97.0 mmm -87.91 -13.62 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 -174.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -128.28 71.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.79 -109.08 2.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.2 mt -128.69 149.3 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.181 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -101.6 118.26 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 p -112.98 8.1 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.223 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -103.73 161.51 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.64 151.68 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt -84.63 145.45 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 74.6 mt -108.56 141.6 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -107.74 162.6 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.57 -38.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.15 -15.54 63.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -87.44 -3.41 59.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.43 20.81 26.19 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.57 98.5 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.33 125.72 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.15 128.84 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -68.04 115.57 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -106.84 25.4 11.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -101.52 146.19 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -99.12 -5.78 29.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.18 -30.47 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -61.92 -39.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.46 -13.8 61.14 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -109.66 25.65 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.16 135.21 51.92 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.92 -16.0 60.01 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.06 159.43 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.184 -174.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.32 129.41 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -95.5 130.02 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.3 t -108.07 115.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -100.48 163.99 17.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.55 -28.51 45.8 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.712 1.608 . . . . 0.0 111.205 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.38 -31.95 72.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.239 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.94 146.37 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.6 m -56.83 124.33 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -69.58 -46.21 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.57 -33.47 81.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.6 p -68.05 -19.45 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.198 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.91 69.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -77.94 -8.48 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.442 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 93.4 p -111.4 10.77 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 64' ' ' VAL . 90.9 t -74.61 134.59 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.66 153.7 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.67 115.52 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -90.25 131.74 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.7 tp -112.68 125.72 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -117.64 119.39 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 171.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 66.0 ttp -106.95 125.78 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.19 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.7 m -128.2 91.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.44 140.44 94.58 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.727 1.618 . . . . 0.0 111.184 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.59 145.09 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.9 t -136.51 -174.52 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.8 p -115.98 -5.12 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -87.67 103.75 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.227 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -66.88 -16.22 64.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -91.38 0.32 57.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 59.9 ttm -103.99 127.29 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 74.9 p -117.17 7.92 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -161.14 151.18 14.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.87 156.42 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.216 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.8 p30 -92.41 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.12 -47.6 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -54.42 -50.08 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.48 -44.56 96.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.18 -37.91 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.31 -43.31 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.55 -23.19 60.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -95.67 6.19 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 170' ' ' LEU . 87.2 p -64.08 -20.46 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.07 -28.22 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.66 -24.38 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 167' ' ' SER . 83.1 mt -69.84 -24.06 63.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.92 18.11 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.209 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.03 155.62 49.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.12 142.84 97.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.659 1.573 . . . . 0.0 111.222 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.01 121.87 27.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -139.87 136.17 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.017 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.066 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -111.78 102.94 11.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -64.18 134.19 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.61 15.57 28.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 161.12 22.19 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.5 m -123.76 147.15 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -117.08 143.37 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -121.45 109.5 14.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -122.69 159.88 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -174.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.26 133.14 11.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -120.49 131.29 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.181 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -80.92 113.65 42.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.54 159.74 32.07 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.176 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -110.81 128.46 55.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -88.01 123.95 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.27 127.52 26.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -74.23 157.69 45.75 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.705 1.603 . . . . 0.0 111.194 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -153.67 155.21 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.3 p -70.17 -17.65 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -73.11 158.32 87.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -75.14 61.02 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.663 1.575 . . . . 0.0 111.172 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 178.59 148.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.5 p -112.2 158.0 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.1 t -111.84 124.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.32 112.88 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.98 134.02 44.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.6 t -103.61 96.16 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.3 m -65.3 127.07 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -108.6 128.53 25.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.67 143.02 90.79 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.702 1.601 . . . . 0.0 111.213 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -72.77 78.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.82 114.16 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.45 71.66 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -133.64 145.73 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.16 83.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.42 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.6 t -102.28 119.27 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 12.5 m0 -102.35 124.09 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.1 m -118.48 126.29 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.81 135.12 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -130.52 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -86.38 124.78 33.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.25 135.41 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -172.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 140' ' ' VAL . 48.9 t -108.33 113.08 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.9 -43.66 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.38 -30.31 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.69 -14.42 23.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 61.6 45.82 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -153.41 -167.65 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.51 174.16 11.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 63.4 t -88.46 143.11 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 55.4 t0 -76.99 67.39 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -171.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 13.4 p 178.59 144.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -115.46 143.48 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 t -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -112.25 130.52 55.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -172.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 26.3 m-85 -115.67 142.52 46.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -106.64 135.93 47.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -142.66 164.86 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.493 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.8 p -160.54 173.74 4.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.2 Cg_exo -51.8 -28.66 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.698 1.598 . . . . 0.0 111.228 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.71 -30.92 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -95.78 137.85 34.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -171.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.24 156.45 69.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.41 117.06 3.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.667 1.578 . . . . 0.0 111.226 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -132.69 145.16 50.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.5 117.24 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.0 tp -91.91 -55.9 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -166.79 170.22 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.225 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.67 135.39 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.1 mt -130.58 134.99 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.229 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.47 135.85 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.75 82.44 4.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -172.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.97 -26.07 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -125.21 113.18 26.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.23 174.56 12.63 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.193 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 68.5 mtt -68.45 -25.67 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.09 64.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.7 -118.79 7.27 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.74 157.9 26.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -116.05 152.82 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.8 p -111.6 -22.22 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.47 162.36 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -91.45 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.8 mt -105.11 173.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -69.84 136.04 50.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -173.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -117.4 174.32 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -175.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.1 t -56.39 -38.49 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.48 -20.98 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.35 -1.73 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.54 17.23 42.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -122.26 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.205 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -126.81 119.71 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.96 130.69 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.41 114.87 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.233 -175.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -103.01 15.81 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -96.17 146.85 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 65.7 p -95.9 -9.15 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.175 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -97.82 -30.91 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.61 -40.29 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.21 57.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -99.26 16.18 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.74 118.46 10.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.45 32.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.31 157.82 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 111.183 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -103.05 127.19 50.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -88.66 132.64 34.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 171.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.1 t -111.52 121.63 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.9 163.8 16.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.74 -26.43 47.21 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.21 -30.12 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.33 142.34 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.3 m -63.68 134.32 55.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.92 -44.04 86.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.15 96.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -59.73 -42.52 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.197 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.11 80.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.23 -20.31 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.5 p -95.97 11.3 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 64' ' ' VAL . 76.4 t -75.45 133.93 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.5 152.47 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.3 t -99.98 116.97 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -96.72 121.94 39.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.18 123.07 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -105.93 116.45 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 67.4 ttp -109.89 111.36 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.8 m -118.58 86.06 28.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.26 143.16 82.6 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.721 1.614 . . . . 0.0 111.185 173.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -147.12 164.37 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.4 t -144.35 -174.95 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.2 p -108.22 -8.51 15.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -85.29 108.24 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.5 p -67.93 -14.06 62.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.97 -4.83 57.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 96.8 mtp -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -117.19 5.95 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.06 153.61 15.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.37 153.99 61.08 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.693 1.595 . . . . 0.0 111.206 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -91.52 -178.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.9 -47.61 80.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -54.43 -50.19 68.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.5 -38.81 91.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.91 -26.26 63.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.2 mtm -92.96 4.31 54.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 86.8 p -63.93 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.44 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.49 -40.06 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.162 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.86 -26.45 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -92.06 16.49 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.29 155.65 44.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.71 141.34 95.53 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.709 1.606 . . . . 0.0 111.218 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.83 141.17 42.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -153.64 122.81 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.963 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.775 0.321 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -77.65 87.97 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -62.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.04 18.42 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.13 131.31 7.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.33 150.14 21.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.174 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -116.21 142.96 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -117.99 113.56 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.75 160.11 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.4 129.37 8.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -127.14 134.71 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -84.96 111.17 33.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.99 158.78 42.05 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.72 1.613 . . . . 0.0 111.22 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 p -119.99 156.12 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.36 130.09 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -96.33 120.32 62.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -54.55 129.93 37.46 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.719 1.612 . . . . 0.0 111.2 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -164.09 151.39 12.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.8 p -77.13 -12.1 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.72 131.84 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.34 -34.0 68.65 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.67 1.58 . . . . 0.0 111.23 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -79.78 143.04 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.6 m -84.92 129.11 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.7 t -103.35 117.45 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.79 133.61 46.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.222 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -121.41 126.64 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.4 116.97 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -63.07 127.8 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 tp -117.17 112.02 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.96 144.41 89.31 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.715 1.61 . . . . 0.0 111.245 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -75.5 83.06 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 64.6 t -105.13 118.08 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -97.55 70.43 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.5 m -133.02 165.06 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 172.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -70.61 82.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.34 159.87 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -122.29 153.41 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -126.9 137.22 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -117.04 127.58 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -103.57 134.45 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -126.94 128.14 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 172.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -88.38 107.46 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.28 132.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -171.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 140' ' ' VAL . 48.6 t -104.83 113.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.5 -43.81 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -67.49 -27.53 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 -174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.35 -12.85 22.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 61.7 45.04 8.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -154.53 -167.36 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.3 p -147.71 163.65 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 97.7 t -80.66 136.58 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 66.0 t0 -70.96 74.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -173.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.2 p 179.55 143.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 173.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.1 p -121.0 147.25 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 t -113.33 131.76 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -110.18 134.68 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -172.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -121.86 156.0 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -141.6 139.98 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.4 t -131.96 -171.46 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.2 p -164.55 172.08 5.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.4 Cg_exo -51.25 -28.91 27.76 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.653 1.569 . . . . 0.0 111.248 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -110.27 -32.77 6.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -96.25 145.99 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.11 156.3 60.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.17 122.75 12.26 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.598 . . . . 0.0 111.16 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -135.12 152.47 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -58.07 117.74 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.2 tp -89.73 -57.01 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -167.31 172.68 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -171.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.35 135.27 35.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -132.62 136.03 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -173.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.56 150.0 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -80.63 71.59 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.18 -173.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.43 -49.09 70.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -145.31 143.29 19.81 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.33 149.94 46.02 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.704 1.603 . . . . 0.0 111.182 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.0 mmm -108.04 9.78 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -130.34 45.81 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.91 -116.75 5.66 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.54 156.35 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.211 -176.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 42.4 ttm180 -142.23 -84.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p 55.26 33.0 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' A' ' 101' ' ' ARG . 99.6 mttt -89.23 155.09 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -72.15 82.13 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.27 151.25 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.9 mt -80.79 141.59 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -176.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -105.54 164.65 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.6 t -55.97 -40.76 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.68 -17.19 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -75.64 -16.93 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.04 36.58 0.87 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.61 139.24 41.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 111.22 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -151.55 111.18 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.31 134.19 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.27 113.91 7.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.69 25.33 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.89 139.45 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 p -94.52 -3.98 48.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 173.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -96.85 -32.27 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.25 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.17 -41.81 99.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.88 -6.78 76.9 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -111.99 23.15 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.02 136.24 48.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.37 -25.55 15.36 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.82 146.76 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 111.255 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.26 124.76 48.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -93.55 125.98 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.0 t -106.95 124.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -88.06 155.78 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.09 -16.77 53.44 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.735 1.623 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.56 -24.76 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.99 146.41 28.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -64.48 125.62 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.5 p -74.51 -26.64 60.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.54 -33.77 88.11 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.8 p -81.21 -32.51 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.6 83.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.03 -13.21 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.3 p -103.77 13.03 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 64' ' ' VAL . 79.7 t -74.43 130.4 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.39 154.98 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 46.8 t -101.71 120.77 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -98.09 123.06 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -107.47 122.23 46.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -174.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -107.38 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.8 ttp -105.19 118.26 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 77.0 m -122.99 92.39 49.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.02 145.99 51.27 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.733 1.622 . . . . 0.0 111.178 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -113.9 168.66 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.18 -168.79 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 169.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.2 -9.05 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -96.98 109.04 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -17.32 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.47 -18.23 60.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.8 mtp -81.52 133.87 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.9 p -118.87 5.56 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.46 152.66 12.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.68 155.68 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.716 1.611 . . . . 0.0 111.211 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -90.54 -178.07 5.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.84 -47.24 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.23 -50.69 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.02 -42.2 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.15 -39.32 92.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.63 -43.34 84.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -28.05 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.71 6.58 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -63.56 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -26.52 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.91 -39.51 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.92 -25.45 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.3 6.02 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.51 154.54 71.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.93 143.36 92.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -79.06 141.66 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -162.14 113.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -78.49 89.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -56.32 135.95 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.02 16.82 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 159.0 20.08 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.48 145.72 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.212 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -115.58 143.64 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -118.22 112.28 19.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -174.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.89 158.07 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.95 131.12 9.58 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.2 mt -127.97 134.24 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -84.24 115.66 61.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.257 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.69 157.14 56.28 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.746 1.631 . . . . 0.0 111.204 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -124.98 163.82 21.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -81.38 126.41 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.58 122.05 63.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -54.01 126.76 23.07 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.715 1.61 . . . . 0.0 111.216 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -164.16 150.66 11.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -79.47 -9.84 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.95 131.58 94.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.38 -34.47 71.22 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.563 . . . . 0.0 111.227 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.35 144.91 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.453 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 80.2 m -84.28 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.05 117.17 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -101.95 133.19 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -140.76 132.3 27.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -99.64 152.12 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.0 m -90.08 119.36 30.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.09 114.1 65.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.75 132.71 47.59 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.712 1.608 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.09 76.75 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.234 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -96.17 119.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.21 76.52 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.25 167.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.05 82.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.23 154.52 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -122.93 156.52 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 173.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 31.2 m-90 -126.09 138.23 53.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.23 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -119.99 123.41 43.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 60' ' ' LEU . 8.5 tt -111.7 119.87 40.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 87.6 tt0 -106.61 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -81.83 105.51 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.95 137.71 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -171.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.55 112.58 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 70.3 t -68.69 -42.54 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.219 -170.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.67 -27.61 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -93.58 -15.03 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.65 43.77 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.51 -167.48 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.7 p -148.46 168.24 23.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.28 141.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -73.3 70.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -172.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p 177.52 144.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 176.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.1 p -118.03 143.82 46.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 t -106.9 124.91 50.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -103.56 137.63 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 32.7 m-85 -127.79 152.79 47.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -141.66 138.48 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.6 p -130.91 -175.9 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.4 p -160.08 173.1 5.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 95.2 Cg_exo -52.03 -28.14 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.696 1.597 . . . . 0.0 111.188 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.4 -31.37 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -99.15 141.87 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 -171.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -80.92 156.13 72.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.94 123.24 13.3 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.667 1.578 . . . . 0.0 111.175 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.2 154.62 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.56 116.83 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.4 tp -88.54 -57.95 2.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.83 167.7 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.44 133.08 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.48 135.51 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.18 140.27 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -86.76 79.78 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -169.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -86.79 -45.48 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -143.03 126.92 9.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -75.96 162.01 35.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.711 1.607 . . . . 0.0 111.203 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.4 mmm -98.96 11.69 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -130.01 46.6 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.85 -143.2 17.03 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.2 mt -119.04 146.68 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.21 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -104.04 -80.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m 60.43 57.53 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -124.9 157.94 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -71.77 83.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.195 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.07 150.64 37.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.85 142.3 31.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -108.68 164.72 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.92 -39.93 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.25 -15.65 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.39 -4.16 59.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.72 18.18 30.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.86 98.44 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -125.81 124.57 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.62 132.47 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.15 112.99 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -102.97 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.21 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t -94.69 143.71 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -99.11 -4.98 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -97.49 -30.83 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.25 -38.59 89.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.92 -13.23 65.29 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -109.28 24.88 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 111.219 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.45 136.57 50.57 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 102.39 -20.87 43.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.81 153.01 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 111.181 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -101.6 126.1 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -89.45 126.0 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.453 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 87.1 t -106.51 119.45 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 177.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -89.07 155.33 49.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.59 -18.06 53.6 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.631 1.554 . . . . 0.0 111.206 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.24 -24.4 63.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.95 148.48 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -65.35 130.88 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -76.22 -28.82 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.94 92.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -66.95 -43.25 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.198 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.23 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -21.82 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.422 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.5 p -106.95 17.79 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -173.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.4 t -74.43 129.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 175.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.97 155.07 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 82.3 m -96.82 119.94 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 67.4 ttt180 -92.12 105.45 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.217 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.47 118.26 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -169.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -104.85 116.02 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.8 ttp -105.03 119.27 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.99 86.45 56.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.84 147.81 79.05 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.679 1.586 . . . . 0.0 111.233 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -145.07 163.35 34.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.01 -168.82 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.6 p -114.79 -11.06 12.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -84.48 101.94 12.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.2 p -67.83 -14.65 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.89 -18.4 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.17 135.89 35.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.3 p -114.65 1.37 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 173.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -166.03 154.62 10.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.62 153.15 69.94 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.688 1.592 . . . . 0.0 111.213 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -91.19 -178.79 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.62 -47.61 79.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.245 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -54.41 -50.0 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.64 -44.1 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.17 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.22 -44.11 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.39 -30.72 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -92.59 5.97 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.7 p -62.93 -25.97 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.05 -26.63 68.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.71 -39.76 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.1 mt -66.74 -24.65 66.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -174.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -90.26 12.06 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.43 155.4 62.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.88 141.46 93.09 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.193 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.85 142.36 36.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -162.16 113.61 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 174.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -176.603 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -113.09 107.27 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.228 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -59.57 133.98 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.7 mt -109.19 26.38 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.26 173.13 28.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.66 147.56 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.18 145.48 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.55 112.92 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -123.59 160.2 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.25 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.17 133.38 11.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -122.99 132.24 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -81.09 113.8 43.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.38 159.6 36.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.61 . . . . 0.0 111.184 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -108.66 127.78 54.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -87.86 123.56 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -117.76 127.77 26.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -74.0 157.65 46.74 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.743 1.629 . . . . 0.0 111.182 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.0 t -153.57 154.93 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.5 p -69.93 -18.62 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -72.01 158.65 87.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.212 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.36 60.57 5.74 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.76 1.64 . . . . 0.0 111.185 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 178.7 148.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -112.12 158.8 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.8 125.82 69.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.6 111.74 24.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -98.23 128.92 44.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -172.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -103.77 92.6 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.1 m -71.58 128.82 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 79.9 mt -110.0 139.7 21.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 69.3 Cg_exo -58.76 149.0 80.29 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.705 1.603 . . . . 0.0 111.223 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -74.5 81.11 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.6 t -101.8 114.5 41.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.2 68.87 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.48 149.72 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.41 82.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.72 154.29 37.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 t -108.62 142.83 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -122.27 131.65 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.229 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -117.29 127.72 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.78 131.63 50.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -127.72 126.1 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.01 123.77 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.6 134.44 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 140' ' ' VAL . 48.4 t -107.36 113.59 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.62 -43.26 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.7 -29.76 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.7 mt -97.05 -14.32 21.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 61.43 46.1 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -153.75 -168.06 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.98 172.11 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 73' ' ' VAL . 64.6 t -87.16 143.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 51.4 t0 -78.04 64.63 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -170.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 11.6 p 178.25 143.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.2 p -118.14 149.28 41.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 t -114.23 132.78 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.02 134.12 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -119.74 152.37 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -139.86 141.98 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.183 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -138.04 -171.24 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -168.34 172.17 3.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.5 Cg_exo -51.44 -29.22 30.39 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.72 1.614 . . . . 0.0 111.18 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -108.99 -31.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.9 t -98.18 143.93 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.37 157.57 53.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.88 121.33 9.66 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.665 1.577 . . . . 0.0 111.213 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.79 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -57.83 116.8 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 tp -89.19 -58.71 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -164.66 164.66 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -172.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 133.35 48.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 172.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.47 133.38 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.0 136.22 56.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -78.37 79.73 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -171.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -84.78 -26.34 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -124.83 116.98 26.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -75.75 168.74 23.69 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.712 1.608 . . . . 0.0 111.243 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 67.7 mtt -62.41 -32.97 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -102.45 63.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.45 -108.54 2.73 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.5 mt -129.61 156.14 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.201 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -119.82 156.58 30.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.4 p -116.01 -17.08 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.72 160.38 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.85 151.93 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.4 mt -106.31 171.51 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.36 137.26 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 -174.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -117.94 174.34 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -56.66 -38.18 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.7 -21.09 60.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -92.13 -1.96 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.8 17.59 40.75 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.79 99.76 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -128.05 120.39 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.9 131.37 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.7 116.85 8.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -106.83 20.46 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -99.15 146.65 25.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.2 p -95.23 -9.42 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -97.89 -31.44 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.51 -40.42 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.17 -13.21 60.32 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.03 13.92 31.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.207 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.68 118.07 10.0 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.75 -20.43 24.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -91.02 157.83 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.186 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.3 tp -102.37 127.38 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.207 -170.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 171.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.34 121.65 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -107.17 163.71 16.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.43 -27.01 47.13 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.47 -30.88 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.53 142.49 34.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.0 m -64.36 134.28 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.9 m -65.13 -44.37 88.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.83 -45.36 95.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -59.75 -42.18 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.07 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.19 -21.17 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.5 p -93.93 8.84 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.245 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 64' ' ' VAL . 79.4 t -73.7 133.75 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.62 153.31 51.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.5 t -100.49 117.57 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -95.76 122.81 38.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.9 tp -107.08 123.01 47.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -107.71 115.79 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.76 114.8 29.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 76.8 m -121.75 89.13 47.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -176.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 59.0 Cg_endo -67.54 151.38 79.8 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.709 1.606 . . . . 0.0 111.196 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -145.6 162.42 37.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.225 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.3 t -142.99 -174.2 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.8 p -107.13 -11.9 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -86.5 106.7 17.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -67.57 -15.31 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.8 -14.78 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -84.88 134.38 34.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.9 p -116.47 4.34 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.44 153.55 14.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -70.02 152.16 67.84 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.735 1.623 . . . . 0.0 111.156 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -90.7 -178.12 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.73 -47.97 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.73 -50.33 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -39.07 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.17 -43.39 87.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.07 -22.98 60.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 73.7 mtm -97.28 6.02 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -64.15 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -173.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.2 -26.27 68.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.208 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 83.1 t -91.94 -39.64 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.53 -26.17 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.248 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.97 5.69 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.1 mt -81.04 154.87 72.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.98 141.24 93.86 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.682 1.588 . . . . 0.0 111.194 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.78 137.99 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -162.03 113.43 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.784 0.326 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -63.06 137.13 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.266 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.49 18.01 23.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.85 130.84 6.88 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -96.49 150.15 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.24 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -115.89 142.95 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -123.52 158.7 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 130.91 9.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -127.18 135.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.218 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -82.17 117.32 67.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.8 159.4 38.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.708 1.605 . . . . 0.0 111.178 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -121.5 153.67 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.242 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 86.1 m -83.32 131.91 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.11 112.6 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.44 117.48 35.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.4 133.63 51.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -98.56 120.99 39.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -62.72 128.31 35.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 tp -122.53 109.4 32.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -57.04 144.63 89.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.727 1.618 . . . . 0.0 111.17 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.24 82.68 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 61.6 t -104.76 117.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -97.04 70.17 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.4 m -133.07 165.28 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -70.45 83.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.73 157.93 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -121.91 155.02 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -127.28 136.21 51.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -116.89 127.73 54.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -103.77 133.8 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -125.06 123.26 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -84.08 122.17 28.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.0 t -120.37 134.29 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 140' ' ' VAL . 54.8 t -108.85 113.38 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.61 -42.49 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.83 -28.39 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.8 -14.2 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 61.37 45.41 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.53 -168.66 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.1 p -146.89 164.3 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.29 136.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -71.88 74.01 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.7 p 179.49 144.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.53 142.39 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 176.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 t -113.06 131.93 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -113.92 133.45 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -170.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -118.84 159.54 23.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.91 138.54 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -130.73 -172.37 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.4 p -163.69 171.97 5.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.5 Cg_exo -51.44 -28.74 28.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.704 1.603 . . . . 0.0 111.203 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -110.3 -32.82 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t -96.33 145.6 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.2 156.28 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.16 123.02 12.76 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.66 1.573 . . . . 0.0 111.19 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -135.37 152.38 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.01 117.53 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 tp -88.99 -57.24 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -167.81 173.88 7.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.47 132.03 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.19 134.4 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 143.63 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -171.704 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.813 0.34 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.17 141.82 33.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -105.72 164.37 11.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.89 -41.65 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.88 -15.32 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -84.23 -4.15 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.38 32.12 5.31 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.33 88.2 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 0.0 111.254 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -112.95 108.43 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.7 t -81.75 131.72 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.73 115.63 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -111.11 24.9 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -96.34 138.94 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.7 p -94.28 -5.23 47.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.41 -32.14 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.3 -40.51 97.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.63 -6.98 77.63 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.95 24.37 12.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.27 136.2 49.68 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.92 -24.23 21.92 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.64 147.66 39.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.05 124.77 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -91.71 119.55 31.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 99.2 t -101.37 122.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.81 154.41 55.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -67.45 -17.04 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.07 -24.29 63.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.206 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.08 147.19 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.5 m -63.59 126.69 28.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -72.86 -27.48 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.54 -41.09 99.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.1 p -74.46 -30.41 61.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.92 93.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.84 -17.84 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p -95.72 7.27 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 64' ' ' VAL . 74.2 t -71.57 132.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.08 155.36 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.7 120.99 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -96.52 119.97 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 59.7 tp -108.93 123.01 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -109.89 118.02 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 170.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.09 118.52 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 73.9 m -123.28 92.27 49.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -71.02 146.01 51.31 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.736 1.624 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.06 169.55 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.43 -168.65 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.45 -8.68 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -97.71 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.19 -17.37 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.12 -18.71 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.55 133.46 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.1 p -118.75 5.83 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.48 152.65 12.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.9 155.93 57.15 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.613 . . . . 0.0 111.2 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -90.19 -177.98 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -57.04 -47.27 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.17 -50.72 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -64.11 -42.11 96.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.1 -39.25 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.99 -28.15 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.9 mtm -93.84 5.88 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 93.3 p -63.67 -25.61 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.28 -25.36 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.66 -39.31 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.08 -24.51 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.22 15.24 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.1 156.71 51.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.93 143.29 92.45 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.716 1.61 . . . . 0.0 111.18 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.17 140.23 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -162.46 112.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.008 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.799 0.333 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t -63.87 137.32 57.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.72 17.93 23.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 131.95 7.34 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -97.49 149.96 21.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 0.0 111.2 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -115.92 142.39 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -117.67 112.94 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.24 158.08 28.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.49 128.98 8.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.6 mt -127.68 133.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -82.14 118.61 72.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -75.89 158.06 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -122.03 157.29 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.547 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.838 0.351 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -84.9 127.46 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -104.28 115.41 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -100.76 126.8 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -112.01 129.92 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.196 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -97.1 116.73 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.9 m -63.61 127.42 31.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -119.99 110.05 36.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -55.55 139.66 82.74 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.704 1.603 . . . . 0.0 111.235 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -75.89 81.73 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.81 110.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -88.56 75.46 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.73 166.9 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -71.12 82.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.62 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -123.24 155.36 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -125.87 137.93 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -117.09 121.9 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.223 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.73 131.89 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.216 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -126.9 127.95 45.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -87.41 107.91 18.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.59 135.43 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -171.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.0 t -108.74 113.83 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.5 t -70.27 -43.27 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -171.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.36 -27.75 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -174.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.81 -13.12 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 61.7 44.94 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.34 -167.38 2.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.8 p -148.26 164.19 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 95.1 t -79.08 135.31 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 65.9 t0 -70.42 74.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.6 p -179.27 143.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.1 p -118.13 142.1 47.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -111.65 131.27 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -113.06 133.8 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -170.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 170.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -143.29 138.69 29.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.4 p -132.09 -173.43 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.241 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 16.8 p -156.41 172.08 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 90.2 Cg_exo -51.15 -27.46 22.41 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.739 1.626 . . . . 0.0 111.18 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.72 -33.51 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -95.88 138.77 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -75.69 158.93 82.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -56.08 122.53 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.668 1.579 . . . . 0.0 111.218 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.31 150.56 50.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.06 117.42 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.1 tp -87.35 -58.23 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -168.76 174.37 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -171.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.34 22.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -131.07 135.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 142.46 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -171.211 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.805 0.336 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.5 mt -80.65 141.69 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -105.48 164.18 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.0 -40.95 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.65 -17.21 62.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -75.93 -16.78 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.12 36.69 0.85 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.53 139.61 42.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -151.77 110.87 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.27 133.69 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.91 113.98 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -108.8 23.56 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.68 139.35 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -94.4 -4.55 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.56 -32.16 12.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -62.74 -41.42 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.81 77.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -112.15 23.29 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 111.202 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.05 135.89 48.64 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 109.23 -24.97 19.58 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.48 146.73 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.266 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.1 tp -101.3 125.2 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -92.59 125.53 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.72 125.29 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.256 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -91.91 155.35 43.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.197 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.88 -16.06 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 0.0 111.226 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.86 -24.21 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.65 146.24 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.8 m -64.15 125.5 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -73.17 -27.68 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.231 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.54 -35.86 92.6 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -79.78 -33.66 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.22 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.37 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.87 -20.85 66.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.412 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 97.2 p -105.75 17.59 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -173.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.26 127.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -134.78 155.17 51.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 49.1 t -99.94 119.07 37.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -97.81 121.38 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.37 120.8 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.215 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -104.83 115.85 31.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.0 ttp -104.57 117.71 34.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 80.5 m -122.57 91.8 49.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 -176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -70.86 146.08 52.45 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.709 1.606 . . . . 0.0 111.172 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -113.33 169.29 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.04 -168.71 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.0 p -123.39 -8.07 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -98.93 108.81 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.11 -17.4 64.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.03 -18.52 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.69 133.68 35.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.0 p -118.93 5.87 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.69 152.56 11.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.87 155.85 57.37 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.685 1.59 . . . . 0.0 111.18 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -90.58 -177.97 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.87 -47.11 81.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -54.38 -50.48 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.61 -39.12 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.81 -43.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.02 -31.72 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -91.98 6.89 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.1 p -63.37 -25.36 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.181 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 91.9 t -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.205 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.38 -25.2 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.08 5.74 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.4 mt -80.9 154.83 73.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.02 142.44 94.06 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.696 1.598 . . . . 0.0 111.191 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.08 142.52 36.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -162.11 113.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.979 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.681 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.787 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -73.28 132.82 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.87 32.23 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.95 -167.89 24.36 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 t -163.35 135.47 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -105.96 156.17 18.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 -175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.42 112.5 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.16 146.83 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.8 110.71 4.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.24 134.28 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -90.56 115.25 63.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -57.92 144.21 94.52 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.743 1.629 . . . . 0.0 111.248 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -101.92 125.26 48.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 179.283 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.7 m -108.54 137.8 45.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 81.3 t -100.08 119.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.17 116.16 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.2 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -104.63 131.69 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.68 118.31 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -62.91 130.87 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 tp -137.02 112.12 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.234 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.37 135.8 66.85 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -79.91 75.83 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.1 t -99.93 119.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.89 74.91 8.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.217 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.16 165.57 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -71.51 84.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.67 161.3 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -137.35 157.48 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 25.8 m-90 -127.03 137.79 53.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 -172.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 110.71 20.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.7 mp -95.78 109.61 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -175.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 83.5 tt0 -95.38 119.42 33.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -85.91 106.22 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.23 135.77 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 140' ' ' VAL . 60.4 t -111.44 112.37 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 69.2 t -69.46 -41.24 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -173.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -59.21 -36.85 76.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' H ' HG12 ' A' ' 64' ' ' VAL . 93.3 mt -96.55 -13.98 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -177.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.73 46.49 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -154.07 -169.97 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.6 m -134.83 166.11 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 73' ' ' VAL . 65.4 t -81.18 145.32 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -79.11 11.46 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -168.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 71' ' ' VAL . 7.6 p -148.52 136.28 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.8 p -108.03 168.75 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -108.49 119.21 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -106.04 123.74 48.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -112.87 158.37 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.223 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -146.78 135.86 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.9 t -117.57 -169.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 28.8 t -163.09 153.01 13.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -49.16 -28.43 14.39 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.605 . . . . 0.0 111.24 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -125.69 36.76 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 47.3 t -168.18 142.56 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 172.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -74.15 161.02 80.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -56.73 127.37 25.61 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.721 1.614 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.33 147.08 51.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.65 118.91 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.76 -51.04 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.15 160.49 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.89 143.18 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.2 mt -119.53 123.14 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.71 146.3 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.544 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.0 137.56 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.226 -171.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.43 165.44 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.15 -38.88 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.84 -16.86 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.74 -3.1 58.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.81 19.97 30.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.07 98.43 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -126.03 123.06 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.0 128.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -72.52 114.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.21 14.45 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.23 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -99.2 151.04 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.219 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -110.1 3.4 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 172.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.47 -30.95 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.66 -39.64 92.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.7 56.86 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -99.59 19.4 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.88 118.24 10.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.53 -18.07 41.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -82.0 154.77 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.7 tp -101.93 123.21 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -84.71 133.32 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.31 118.86 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 173.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.52 163.6 16.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.231 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.02 -27.77 47.01 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.698 1.599 . . . . 0.0 111.161 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.252 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.42 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.5 m -66.45 134.21 52.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.4 p -75.06 -30.54 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -173.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.11 -40.32 96.85 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.6 m -64.93 -41.89 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.219 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.39 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.95 -13.29 61.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.406 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.8 p -105.99 13.62 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 77.6 t -73.52 131.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -132.79 145.94 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 44.0 t -99.92 112.49 24.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 68.4 ttt180 -88.78 106.99 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.7 tp -93.54 99.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 79.4 ttt180 -89.36 106.75 18.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.3 ttp -104.73 107.47 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 79.8 m -110.08 100.63 44.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 72.2 Cg_endo -73.24 145.33 38.66 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.699 1.6 . . . . 0.0 111.167 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -124.15 160.93 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -153.36 -168.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.9 p -122.3 -8.92 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -90.0 101.94 14.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -67.16 -15.79 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.35 -19.02 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.1 mtp -82.49 136.63 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.22 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.5 p -113.6 1.86 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -165.59 156.04 11.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.55 144.6 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.705 1.603 . . . . 0.0 111.188 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -89.1 -178.5 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -48.88 70.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -54.14 -50.52 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.6 mtp -63.24 -44.19 95.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.8 -38.57 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.89 -47.66 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.54 -30.22 69.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 97.2 mtp -94.35 4.9 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 92.8 p -59.74 -30.14 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -173.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -48.89 77.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.09 -30.24 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.9 -29.37 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -90.69 21.68 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.6 154.17 44.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.45 144.3 92.16 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.662 1.575 . . . . 0.0 111.164 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.3 152.07 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -87.83 93.38 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.192 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.808 0.337 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -66.07 133.27 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.4 mt -104.38 18.49 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.82 171.78 26.52 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.02 143.79 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -112.89 143.91 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -119.11 110.3 16.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -122.73 160.63 25.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.79 133.26 11.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -123.03 132.9 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -80.41 114.16 45.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.53 160.83 34.85 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.707 1.604 . . . . 0.0 111.201 -175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -109.61 127.96 54.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -179.63 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -111.63 157.99 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.22 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.5 t -111.84 125.2 69.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.93 113.98 27.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.73 134.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.78 91.7 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.6 m -69.69 128.3 35.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -109.0 137.42 20.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -58.12 144.54 94.93 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.666 1.578 . . . . 0.0 111.211 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -77.01 82.78 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.439 HG12 HG22 ' A' ' 54' ' ' VAL . 65.0 t -107.38 111.26 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -91.32 74.73 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 52' ' ' VAL . 21.6 m -135.23 167.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.13 82.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.28 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -125.81 147.26 49.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -121.85 136.0 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -116.27 126.88 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -106.21 134.75 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -130.09 128.43 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 168.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -86.96 124.27 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -117.22 133.51 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 140' ' ' VAL . 47.4 t -106.92 108.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.198 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.2 -41.29 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -60.18 -38.39 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' H ' HG12 ' A' ' 64' ' ' VAL . 97.9 mt -93.93 -12.58 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 61.88 46.19 6.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.74 -167.06 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -147.56 168.96 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 87.3 t -86.4 144.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -80.71 45.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.68 134.91 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.5 p -111.03 135.62 51.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 170.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.7 t -113.18 130.55 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -117.34 159.21 23.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -145.78 139.67 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.1 t -134.8 -169.15 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 13.0 p -166.88 173.09 3.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.5 Cg_exo -51.77 -29.59 34.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.73 1.62 . . . . 0.0 111.212 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.88 -31.16 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.6 t -97.07 144.86 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.83 155.79 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.27 121.2 9.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.647 1.565 . . . . 0.0 111.21 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -133.7 149.73 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.1 116.86 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.34 -56.74 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.207 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -166.35 170.05 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.75 136.45 40.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -130.98 136.73 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.5 138.1 57.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -173.287 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.835 0.35 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.0 mt -68.33 138.75 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.49 176.02 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.24 -29.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -61.73 -21.33 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -96.83 -1.56 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.72 18.66 47.12 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.04 104.53 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.232 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -131.2 119.09 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.7 135.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.56 112.96 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -102.84 15.66 28.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -94.89 146.18 24.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 p -95.34 -9.44 32.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -98.01 -31.24 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.06 -40.94 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.67 -13.25 59.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.58 17.0 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.57 118.45 10.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -173.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.63 -18.25 32.46 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.51 158.96 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.8 tp -103.39 127.82 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 -169.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -89.48 131.89 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -106.98 164.06 15.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.94 -26.46 49.05 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.705 1.604 . . . . 0.0 111.206 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.68 142.01 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.6 m -64.22 135.63 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.49 -44.05 88.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.78 96.84 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.5 m -59.58 -42.82 93.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.43 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.85 -18.96 62.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.1 p -94.08 6.98 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 64' ' ' VAL . 76.1 t -73.24 134.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.88 153.39 51.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.0 t -100.08 119.24 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.22 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -96.58 121.62 38.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.231 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.24 125.7 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -109.84 115.6 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.3 ttp -102.91 113.86 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.6 m -120.8 88.41 43.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.56 151.43 75.29 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -145.04 162.84 35.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -142.39 -177.17 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.9 p -106.7 -8.43 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -81.97 104.99 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.236 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -66.99 -16.05 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.16 2.1 56.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 60.2 ttm -103.2 127.47 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 78.9 p -117.11 6.07 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -160.98 152.39 16.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.3 152.49 61.25 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.717 1.611 . . . . 0.0 111.189 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -91.45 -178.36 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -47.0 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -54.08 -51.1 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -63.63 -43.25 97.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -38.97 92.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.04 -43.94 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.36 -30.35 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.68 4.29 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.2 p -63.3 -25.33 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -26.28 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.76 -39.96 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.0 mt -64.44 -27.77 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -175.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -85.16 4.93 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.0 mt -81.57 153.63 70.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.89 142.13 96.27 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.695 1.597 . . . . 0.0 111.2 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -76.98 141.28 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -155.06 126.81 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.051 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.5 t60 . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.834 0.349 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -75.0 134.06 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -108.37 31.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -172.51 24.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.7 t -163.29 136.5 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -106.96 150.73 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -123.53 114.71 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 174' ' ' ASN . 73.8 mmtt -120.68 163.5 17.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.87 126.15 7.69 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 142' ' ' CYS . 47.5 mm -113.27 131.92 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -82.3 114.69 53.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.46 141.2 94.96 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.691 1.594 . . . . 0.0 111.167 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.8 m -102.35 119.74 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.844 0.354 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.8 m -99.73 137.63 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.8 t -99.14 117.71 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.65 111.46 23.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.88 128.43 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -100.49 115.44 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -65.41 129.76 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.7 tp -134.56 111.37 11.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -54.7 136.09 69.81 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.689 1.593 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.41 74.93 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.9 123.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.93 75.59 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.88 162.71 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -72.14 82.4 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.27 159.11 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -122.01 156.26 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 -128.4 138.38 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -117.21 127.68 54.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -107.98 113.75 27.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -107.28 122.79 47.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -86.06 106.65 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.14 132.67 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 67' ' ' LEU . 63.5 t -106.6 121.71 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -174.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.78 -48.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.51 -26.91 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' H ' HG12 ' A' ' 64' ' ' VAL . 95.0 mt -96.63 -18.44 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.49 46.15 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.33 -168.9 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t -145.21 149.55 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 73' ' ' VAL . 95.8 t -72.63 140.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -79.7 8.39 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -166.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 71' ' ' VAL . 95.5 t -129.08 135.14 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 171.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.2 p -115.93 157.18 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 175.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -110.97 129.75 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -110.34 132.74 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -117.76 159.29 23.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -144.72 137.66 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.8 t -133.18 -168.7 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -163.15 172.43 5.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.9 Cg_exo -52.14 -28.31 32.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.663 1.575 . . . . 0.0 111.224 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.91 -31.28 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.4 t -97.48 145.05 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -171.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.05 154.45 72.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.09 124.0 15.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.685 1.59 . . . . 0.0 111.21 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -133.99 150.41 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.98 116.86 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 tp -83.97 -58.05 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -174.13 157.58 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.15 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 90.5 mt -131.67 138.52 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.36 140.86 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -179.121 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.793 0.33 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.78 131.64 35.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -106.45 165.02 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.51 -39.89 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.39 -17.13 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.75 -2.86 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.08 20.62 25.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -124.24 96.02 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -120.3 125.31 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -174.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.15 127.86 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -73.14 115.09 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 -174.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.18 16.15 26.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 t -98.39 147.62 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.0 p -102.45 -2.57 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 172.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -97.87 -30.7 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.87 -39.68 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.86 57.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.79 19.97 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.803 0.335 . . . . 0.0 111.18 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.08 117.84 9.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 107.45 -20.12 32.94 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -87.36 164.66 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -172.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -107.58 128.57 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -171.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -91.01 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 174.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.3 t -108.04 115.48 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -100.41 164.45 16.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.5 -28.71 46.13 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.699 1.599 . . . . 0.0 111.201 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.48 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.76 143.45 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 135' ' ' GLY . 91.1 m -73.76 131.91 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -69.76 -26.56 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 133' ' ' THR . . . -65.66 -24.18 71.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 133' ' ' THR . 97.4 p -83.37 -34.55 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 175.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.73 -24.11 22.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.1 p -103.38 -5.0 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 7.5 p -68.65 144.27 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.88 150.57 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.279 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 53.6 t -94.36 112.01 23.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -85.28 113.16 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 tp -97.08 111.09 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -106.76 114.77 29.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.9 ttp -110.53 115.33 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 64.2 m -118.12 96.6 49.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.68 140.02 91.58 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.715 1.61 . . . . 0.0 111.208 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -121.46 161.05 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 13.4 t -152.65 160.7 43.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.0 p -88.17 -13.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 173.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -92.65 98.21 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.208 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -69.64 -13.9 62.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -172.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.93 -20.91 60.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -76.43 141.4 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.2 p -115.81 -0.26 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.76 153.6 14.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.87 154.99 63.07 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.706 1.604 . . . . 0.0 111.169 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -92.36 -177.49 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -46.97 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -54.69 -51.73 64.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.94 -49.17 75.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -177.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.64 -38.88 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.68 -46.55 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.87 -31.55 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.3 mtm -89.03 5.35 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 91.1 p -63.53 -24.32 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.35 -25.59 68.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.15 -41.37 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.187 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.83 -27.75 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -91.12 15.74 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.95 153.61 41.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -54.95 134.33 62.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.663 1.576 . . . . 0.0 111.207 174.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 28.1 p30 -84.08 165.78 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.234 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -154.25 129.7 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.975 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 m80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.4 t -69.4 133.69 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.03 26.18 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.26 168.63 42.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 146' ' ' MET . 74.8 m -129.9 147.74 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 111.2 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -115.69 144.58 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -121.76 110.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -123.51 163.8 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 -173.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.44 136.09 12.96 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.6 mt -119.59 135.04 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.174 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -85.39 113.1 48.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 52.5 Cg_exo -60.92 148.59 92.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.1 m -101.25 124.62 47.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.264 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.769 0.318 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.7 m -97.2 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.15 114.16 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -102.54 112.67 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.27 127.82 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -90.21 103.88 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.0 m -57.81 125.27 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -116.37 102.96 53.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -57.39 145.52 87.54 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.721 1.614 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -76.1 85.45 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.32 115.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -95.1 68.95 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.7 145.35 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -67.02 83.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.41 162.84 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -114.53 153.96 29.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -130.4 139.85 50.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -115.15 132.93 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 75' ' ' SER . 59.2 mt -113.35 122.22 46.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -114.8 126.1 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.22 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -90.17 124.31 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.39 154.97 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 140' ' ' VAL . 47.5 t -123.55 114.42 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.0 t -70.03 -46.66 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -170.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.39 -32.1 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.2 mt -94.14 -17.43 22.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 61.68 48.87 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.6 p -130.22 174.69 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -150.61 142.86 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 73' ' ' VAL . 79.8 t -77.19 126.47 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -78.92 1.52 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -167.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.505 ' H ' HG12 ' A' ' 71' ' ' VAL . 76.2 t -105.93 119.07 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 168.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.9 p -107.97 153.0 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 20.4 t -110.31 132.18 54.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 -171.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -116.48 139.21 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -148.64 157.95 43.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -136.58 160.18 39.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.183 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 t -138.23 -169.59 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.5 p -165.99 171.19 5.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 96.7 Cg_exo -52.13 -29.35 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.39 -32.63 7.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -97.32 140.53 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.56 157.02 77.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.31 123.76 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.638 1.559 . . . . 0.0 111.218 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -136.74 140.35 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.52 129.92 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 tp -99.9 -60.82 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -172.61 158.06 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.21 142.49 41.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -132.89 140.89 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.99 139.7 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -176.005 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 74.6 mt -108.56 141.6 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -107.74 162.6 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.57 -38.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.15 -15.54 63.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -87.44 -3.41 59.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.43 20.81 26.19 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.57 98.5 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.33 125.72 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.15 128.84 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -68.04 115.57 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -106.84 25.4 11.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -101.52 146.19 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -99.12 -5.78 29.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.18 -30.47 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -61.92 -39.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.46 -13.8 61.14 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -109.66 25.65 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.16 135.21 51.92 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.92 -16.0 60.01 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.06 159.43 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.184 -174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.32 129.41 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -95.5 130.02 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.3 t -108.07 115.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -100.48 163.99 17.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.55 -28.51 45.8 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.712 1.608 . . . . 0.0 111.205 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.38 -31.95 72.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.239 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.94 146.37 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.6 m -56.83 124.33 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -69.58 -46.21 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.57 -33.47 81.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.6 p -68.05 -19.45 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.198 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.91 69.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -77.94 -8.48 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.442 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 93.4 p -111.4 10.77 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 64' ' ' VAL . 90.9 t -74.61 134.59 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.66 153.7 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.67 115.52 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -90.25 131.74 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.7 tp -112.68 125.72 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -117.64 119.39 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 171.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 66.0 ttp -106.95 125.78 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.19 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.7 m -128.2 91.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.44 140.44 94.58 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.727 1.618 . . . . 0.0 111.184 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.59 145.09 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.9 t -136.51 -174.52 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.8 p -115.98 -5.12 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -87.67 103.75 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.227 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -66.88 -16.22 64.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -91.38 0.32 57.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 59.9 ttm -103.99 127.29 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 74.9 p -117.17 7.92 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -161.14 151.18 14.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.87 156.42 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.216 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.8 p30 -92.41 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.12 -47.6 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -54.42 -50.08 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.48 -44.56 96.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.18 -37.91 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.31 -43.31 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.55 -23.19 60.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -95.67 6.19 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 170' ' ' LEU . 87.2 p -64.08 -20.46 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.07 -28.22 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.66 -24.38 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 167' ' ' SER . 83.1 mt -69.84 -24.06 63.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.92 18.11 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.209 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.03 155.62 49.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.12 142.84 97.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.659 1.573 . . . . 0.0 111.222 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.01 121.87 27.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -139.87 136.17 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.017 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.066 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 m80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.845 0.355 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -64.18 134.19 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.61 15.57 28.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 161.12 22.19 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.5 m -123.76 147.15 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -117.08 143.37 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -121.45 109.5 14.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -122.69 159.88 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.26 133.14 11.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -120.49 131.29 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.181 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -80.92 113.65 42.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.54 159.74 32.07 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.176 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -110.81 128.46 55.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -179.739 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.5 p -112.2 158.0 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.1 t -111.84 124.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.32 112.88 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.98 134.02 44.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.6 t -103.61 96.16 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.3 m -65.3 127.07 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -108.6 128.53 25.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.67 143.02 90.79 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.702 1.601 . . . . 0.0 111.213 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -72.77 78.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.82 114.16 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.45 71.66 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -133.64 145.73 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.16 83.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.42 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.6 t -102.28 119.27 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 12.5 m0 -102.35 124.09 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.1 m -118.48 126.29 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.81 135.12 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -130.52 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -86.38 124.78 33.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.25 135.41 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -172.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 140' ' ' VAL . 48.9 t -108.33 113.08 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.9 -43.66 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.38 -30.31 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.69 -14.42 23.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 61.6 45.82 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -153.41 -167.65 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.51 174.16 11.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 63.4 t -88.46 143.11 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 55.4 t0 -76.99 67.39 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -171.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 13.4 p 178.59 144.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -115.46 143.48 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 t -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -112.25 130.52 55.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -172.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 26.3 m-85 -115.67 142.52 46.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -106.64 135.93 47.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -142.66 164.86 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.493 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.8 p -160.54 173.74 4.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.2 Cg_exo -51.8 -28.66 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.698 1.598 . . . . 0.0 111.228 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.71 -30.92 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -95.78 137.85 34.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -171.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.24 156.45 69.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.41 117.06 3.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.667 1.578 . . . . 0.0 111.226 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -132.69 145.16 50.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.5 117.24 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.0 tp -91.91 -55.9 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -166.79 170.22 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.225 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.67 135.39 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.1 mt -130.58 134.99 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.229 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.47 135.85 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -172.013 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.335 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -69.84 136.04 50.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -117.4 174.32 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -175.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.1 t -56.39 -38.49 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.48 -20.98 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.35 -1.73 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.54 17.23 42.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -122.26 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.205 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -126.81 119.71 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.96 130.69 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.41 114.87 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.233 -175.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -103.01 15.81 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -96.17 146.85 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 65.7 p -95.9 -9.15 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.175 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -97.82 -30.91 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.61 -40.29 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.21 57.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -99.26 16.18 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.74 118.46 10.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.45 32.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.31 157.82 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 111.183 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -103.05 127.19 50.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -88.66 132.64 34.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 171.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.1 t -111.52 121.63 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.9 163.8 16.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.74 -26.43 47.21 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.21 -30.12 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.33 142.34 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.3 m -63.68 134.32 55.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.92 -44.04 86.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.15 96.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -59.73 -42.52 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.197 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.11 80.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.23 -20.31 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.5 p -95.97 11.3 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 64' ' ' VAL . 76.4 t -75.45 133.93 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.5 152.47 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.3 t -99.98 116.97 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -96.72 121.94 39.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.18 123.07 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -105.93 116.45 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 67.4 ttp -109.89 111.36 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.8 m -118.58 86.06 28.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.26 143.16 82.6 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.721 1.614 . . . . 0.0 111.185 173.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -147.12 164.37 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.4 t -144.35 -174.95 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.2 p -108.22 -8.51 15.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -85.29 108.24 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.5 p -67.93 -14.06 62.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.97 -4.83 57.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 96.8 mtp -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -117.19 5.95 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.06 153.61 15.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.37 153.99 61.08 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.693 1.595 . . . . 0.0 111.206 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -91.52 -178.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.9 -47.61 80.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -54.43 -50.19 68.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.5 -38.81 91.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.91 -26.26 63.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.2 mtm -92.96 4.31 54.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 86.8 p -63.93 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.44 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.49 -40.06 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.162 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.86 -26.45 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -92.06 16.49 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.29 155.65 44.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.71 141.34 95.53 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.709 1.606 . . . . 0.0 111.218 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.83 141.17 42.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -153.64 122.81 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.963 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -62.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.04 18.42 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.13 131.31 7.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.33 150.14 21.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.174 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -116.21 142.96 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -117.99 113.56 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.75 160.11 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.4 129.37 8.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -127.14 134.71 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -84.96 111.17 33.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.99 158.78 42.05 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.72 1.613 . . . . 0.0 111.22 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 p -119.99 156.12 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 178.498 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.796 0.332 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.6 m -84.92 129.11 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.7 t -103.35 117.45 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.79 133.61 46.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.222 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -121.41 126.64 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.4 116.97 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -63.07 127.8 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 tp -117.17 112.02 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.96 144.41 89.31 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.715 1.61 . . . . 0.0 111.245 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -75.5 83.06 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 64.6 t -105.13 118.08 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -97.55 70.43 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.5 m -133.02 165.06 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 172.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -70.61 82.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.34 159.87 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -122.29 153.41 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -126.9 137.22 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -117.04 127.58 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -103.57 134.45 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -126.94 128.14 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 172.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -88.38 107.46 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.28 132.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -171.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 140' ' ' VAL . 48.6 t -104.83 113.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.5 -43.81 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -67.49 -27.53 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 -174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.35 -12.85 22.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 61.7 45.04 8.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -154.53 -167.36 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.3 p -147.71 163.65 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 97.7 t -80.66 136.58 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 66.0 t0 -70.96 74.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -173.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.2 p 179.55 143.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 173.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.1 p -121.0 147.25 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 t -113.33 131.76 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -110.18 134.68 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -172.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -121.86 156.0 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -141.6 139.98 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.4 t -131.96 -171.46 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.2 p -164.55 172.08 5.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.4 Cg_exo -51.25 -28.91 27.76 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.653 1.569 . . . . 0.0 111.248 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -110.27 -32.77 6.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -96.25 145.99 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.11 156.3 60.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.17 122.75 12.26 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.598 . . . . 0.0 111.16 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -135.12 152.47 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -58.07 117.74 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.2 tp -89.73 -57.01 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -167.31 172.68 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -171.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.35 135.27 35.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -132.62 136.03 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -173.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.56 150.0 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.18 -173.456 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.762 0.315 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.9 mt -80.79 141.59 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -176.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -105.54 164.65 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.6 t -55.97 -40.76 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.68 -17.19 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -75.64 -16.93 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.04 36.58 0.87 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.61 139.24 41.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 111.22 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -151.55 111.18 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.31 134.19 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.27 113.91 7.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.69 25.33 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.89 139.45 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 p -94.52 -3.98 48.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 173.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -96.85 -32.27 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.25 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.17 -41.81 99.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.88 -6.78 76.9 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -111.99 23.15 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.02 136.24 48.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.37 -25.55 15.36 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.82 146.76 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 111.255 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.26 124.76 48.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -93.55 125.98 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.0 t -106.95 124.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -88.06 155.78 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.09 -16.77 53.44 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.735 1.623 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.56 -24.76 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.99 146.41 28.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -64.48 125.62 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.5 p -74.51 -26.64 60.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.54 -33.77 88.11 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.8 p -81.21 -32.51 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.6 83.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.03 -13.21 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.3 p -103.77 13.03 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 64' ' ' VAL . 79.7 t -74.43 130.4 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.39 154.98 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 46.8 t -101.71 120.77 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -98.09 123.06 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -107.47 122.23 46.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -174.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -107.38 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.8 ttp -105.19 118.26 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 77.0 m -122.99 92.39 49.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.02 145.99 51.27 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.733 1.622 . . . . 0.0 111.178 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -113.9 168.66 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.18 -168.79 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 169.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.2 -9.05 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -96.98 109.04 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -17.32 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.47 -18.23 60.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.8 mtp -81.52 133.87 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.9 p -118.87 5.56 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.46 152.66 12.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.68 155.68 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.716 1.611 . . . . 0.0 111.211 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -90.54 -178.07 5.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.84 -47.24 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.23 -50.69 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.02 -42.2 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.15 -39.32 92.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.63 -43.34 84.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -28.05 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.71 6.58 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -63.56 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -26.52 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.91 -39.51 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.92 -25.45 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.3 6.02 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.51 154.54 71.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.93 143.36 92.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -79.06 141.66 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -162.14 113.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 t60 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -56.32 135.95 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.02 16.82 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 159.0 20.08 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.48 145.72 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.212 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -115.58 143.64 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -118.22 112.28 19.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -174.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.89 158.07 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.95 131.12 9.58 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.2 mt -127.97 134.24 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -84.24 115.66 61.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.257 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.69 157.14 56.28 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.746 1.631 . . . . 0.0 111.204 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -124.98 163.82 21.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.243 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.453 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 80.2 m -84.28 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.05 117.17 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -101.95 133.19 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -140.76 132.3 27.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -99.64 152.12 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.0 m -90.08 119.36 30.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.09 114.1 65.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.75 132.71 47.59 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.712 1.608 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.09 76.75 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.234 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -96.17 119.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.21 76.52 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.25 167.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.05 82.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.23 154.52 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -122.93 156.52 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 173.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 31.2 m-90 -126.09 138.23 53.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.23 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -119.99 123.41 43.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 60' ' ' LEU . 8.5 tt -111.7 119.87 40.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 87.6 tt0 -106.61 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -81.83 105.51 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.95 137.71 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -171.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.55 112.58 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 70.3 t -68.69 -42.54 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.219 -170.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.67 -27.61 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -93.58 -15.03 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.65 43.77 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.51 -167.48 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.7 p -148.46 168.24 23.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.28 141.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -73.3 70.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -172.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p 177.52 144.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 176.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.1 p -118.03 143.82 46.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 t -106.9 124.91 50.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -103.56 137.63 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 32.7 m-85 -127.79 152.79 47.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -141.66 138.48 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.6 p -130.91 -175.9 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.4 p -160.08 173.1 5.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 95.2 Cg_exo -52.03 -28.14 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.696 1.597 . . . . 0.0 111.188 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.4 -31.37 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -99.15 141.87 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 -171.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -80.92 156.13 72.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.94 123.24 13.3 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.667 1.578 . . . . 0.0 111.175 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.2 154.62 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.56 116.83 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.4 tp -88.54 -57.95 2.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.83 167.7 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.44 133.08 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.48 135.51 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.18 140.27 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -169.532 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.855 0.359 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.85 142.3 31.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -108.68 164.72 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.92 -39.93 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.25 -15.65 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.39 -4.16 59.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.72 18.18 30.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.86 98.44 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -125.81 124.57 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.62 132.47 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.15 112.99 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -102.97 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.21 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t -94.69 143.71 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -99.11 -4.98 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -97.49 -30.83 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.25 -38.59 89.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.92 -13.23 65.29 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -109.28 24.88 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 111.219 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.45 136.57 50.57 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 102.39 -20.87 43.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.81 153.01 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 111.181 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -101.6 126.1 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -89.45 126.0 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.453 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 87.1 t -106.51 119.45 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 177.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -89.07 155.33 49.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.59 -18.06 53.6 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.631 1.554 . . . . 0.0 111.206 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.24 -24.4 63.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.95 148.48 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -65.35 130.88 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -76.22 -28.82 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.94 92.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -66.95 -43.25 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.198 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.23 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -21.82 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . 0.422 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.5 p -106.95 17.79 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -173.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.4 t -74.43 129.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 175.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.97 155.07 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 82.3 m -96.82 119.94 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 67.4 ttt180 -92.12 105.45 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.217 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.47 118.26 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -169.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -104.85 116.02 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.8 ttp -105.03 119.27 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.99 86.45 56.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.84 147.81 79.05 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.679 1.586 . . . . 0.0 111.233 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -145.07 163.35 34.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.01 -168.82 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.6 p -114.79 -11.06 12.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -84.48 101.94 12.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.2 p -67.83 -14.65 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.89 -18.4 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.17 135.89 35.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.3 p -114.65 1.37 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 173.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -166.03 154.62 10.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.62 153.15 69.94 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.688 1.592 . . . . 0.0 111.213 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -91.19 -178.79 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.62 -47.61 79.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.245 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -54.41 -50.0 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.64 -44.1 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.17 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.22 -44.11 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.39 -30.72 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -92.59 5.97 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.7 p -62.93 -25.97 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.05 -26.63 68.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.71 -39.76 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.1 mt -66.74 -24.65 66.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -174.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -90.26 12.06 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.43 155.4 62.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.88 141.46 93.09 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.193 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.85 142.36 36.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -162.16 113.61 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 174.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -176.603 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 CA--C 1.523 -0.083 0 CA-C-O 120.831 0.348 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -59.57 133.98 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.7 mt -109.19 26.38 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.26 173.13 28.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.66 147.56 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.18 145.48 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.55 112.92 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -123.59 160.2 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.25 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.17 133.38 11.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -122.99 132.24 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -81.09 113.8 43.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.38 159.6 36.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.61 . . . . 0.0 111.184 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -108.66 127.78 54.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.41 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.811 0.339 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -112.12 158.8 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.8 125.82 69.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.6 111.74 24.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -98.23 128.92 44.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -172.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -103.77 92.6 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.1 m -71.58 128.82 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 79.9 mt -110.0 139.7 21.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 69.3 Cg_exo -58.76 149.0 80.29 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.705 1.603 . . . . 0.0 111.223 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -74.5 81.11 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.6 t -101.8 114.5 41.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.2 68.87 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.48 149.72 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.41 82.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.72 154.29 37.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 t -108.62 142.83 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -122.27 131.65 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.229 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -117.29 127.72 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.78 131.63 50.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -127.72 126.1 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.01 123.77 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.6 134.44 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 140' ' ' VAL . 48.4 t -107.36 113.59 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.62 -43.26 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.7 -29.76 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.7 mt -97.05 -14.32 21.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 61.43 46.1 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -153.75 -168.06 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.98 172.11 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 73' ' ' VAL . 64.6 t -87.16 143.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 51.4 t0 -78.04 64.63 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -170.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 11.6 p 178.25 143.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.2 p -118.14 149.28 41.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 t -114.23 132.78 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.02 134.12 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -119.74 152.37 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -139.86 141.98 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.183 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -138.04 -171.24 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -168.34 172.17 3.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.5 Cg_exo -51.44 -29.22 30.39 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.72 1.614 . . . . 0.0 111.18 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -108.99 -31.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.9 t -98.18 143.93 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.37 157.57 53.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.88 121.33 9.66 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.665 1.577 . . . . 0.0 111.213 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.79 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -57.83 116.8 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 tp -89.19 -58.71 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -164.66 164.66 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -172.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 133.35 48.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 172.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.47 133.38 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.0 136.22 56.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -171.85 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.36 137.26 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 -174.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -117.94 174.34 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -56.66 -38.18 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.7 -21.09 60.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -92.13 -1.96 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.8 17.59 40.75 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.79 99.76 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -128.05 120.39 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.9 131.37 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.7 116.85 8.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -106.83 20.46 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -99.15 146.65 25.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.2 p -95.23 -9.42 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -97.89 -31.44 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.51 -40.42 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.17 -13.21 60.32 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.03 13.92 31.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.207 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.68 118.07 10.0 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.75 -20.43 24.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -91.02 157.83 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.186 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.3 tp -102.37 127.38 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.207 -170.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 171.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.34 121.65 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -107.17 163.71 16.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.43 -27.01 47.13 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.47 -30.88 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.53 142.49 34.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.0 m -64.36 134.28 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.9 m -65.13 -44.37 88.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.83 -45.36 95.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -59.75 -42.18 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.07 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.19 -21.17 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.5 p -93.93 8.84 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.245 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 64' ' ' VAL . 79.4 t -73.7 133.75 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.62 153.31 51.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.5 t -100.49 117.57 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -95.76 122.81 38.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.9 tp -107.08 123.01 47.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -107.71 115.79 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.76 114.8 29.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 76.8 m -121.75 89.13 47.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -176.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 59.0 Cg_endo -67.54 151.38 79.8 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.709 1.606 . . . . 0.0 111.196 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -145.6 162.42 37.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.225 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.3 t -142.99 -174.2 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.8 p -107.13 -11.9 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -86.5 106.7 17.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -67.57 -15.31 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.8 -14.78 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -84.88 134.38 34.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.9 p -116.47 4.34 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.44 153.55 14.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -70.02 152.16 67.84 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.735 1.623 . . . . 0.0 111.156 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -90.7 -178.12 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.73 -47.97 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.73 -50.33 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -39.07 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.17 -43.39 87.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.07 -22.98 60.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 73.7 mtm -97.28 6.02 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -64.15 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -173.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.2 -26.27 68.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.208 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 83.1 t -91.94 -39.64 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.53 -26.17 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.248 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.97 5.69 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.1 mt -81.04 154.87 72.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.98 141.24 93.86 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.682 1.588 . . . . 0.0 111.194 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.78 137.99 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -162.03 113.43 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -177.849 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.795 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -77.44 87.61 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.6 t -63.06 137.13 58.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.266 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -104.49 18.01 23.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 173.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.85 130.84 6.88 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 72.0 m -96.49 150.15 20.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.24 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -115.89 142.95 46.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.226 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -118.37 112.65 20.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.237 -174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -123.52 158.7 30.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.02 130.91 9.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.6 mt -127.18 135.18 64.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 111.218 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -82.17 117.32 67.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.199 174.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -75.8 159.4 38.48 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.708 1.605 . . . . 0.0 111.178 -178.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 58.8 p -121.5 153.67 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.242 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -89.95 126.59 35.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -97.9 121.15 58.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.222 -177.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.4 132.4 50.66 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.683 1.588 . . . . 0.0 111.182 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.7 t -163.15 151.15 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.9 p -75.88 -13.07 60.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.66 132.37 95.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -53.2 -34.36 68.96 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.717 1.611 . . . . 0.0 111.172 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -79.9 142.62 35.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 86.1 m -83.32 131.91 35.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.2 t -99.11 112.6 31.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -101.44 117.48 35.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.24 177.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -107.4 133.63 51.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.226 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -98.56 120.99 39.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.4 m -62.72 128.31 35.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.223 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.4 tp -122.53 109.4 32.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -57.04 144.63 89.24 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.727 1.618 . . . . 0.0 111.17 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -75.24 82.68 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.174 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 61.6 t -104.76 117.53 50.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -97.04 70.17 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.201 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.4 m -133.07 165.28 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -70.45 83.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 175.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.73 157.93 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.221 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 67.9 m -121.91 155.02 36.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 28.4 m-90 -127.28 136.21 51.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.0 m -116.89 127.73 54.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 177.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.2 mt -103.77 133.8 48.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -125.06 123.26 39.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.173 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -84.08 122.17 28.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.0 t -120.37 134.29 64.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -171.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 140' ' ' VAL . 54.8 t -108.85 113.38 43.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.61 -42.49 83.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.192 -172.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -66.83 -28.39 68.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.8 -14.2 22.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.186 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 61.37 45.41 8.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.53 -168.66 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.1 p -146.89 164.3 33.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 66.7 t -83.29 136.43 22.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 -176.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.441 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -71.88 74.01 0.86 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 -174.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.7 p 179.49 144.2 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 174.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.3 p -117.53 142.39 47.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 176.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.2 t -113.06 131.93 55.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -113.92 133.45 55.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -170.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -118.84 159.54 23.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 171.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -143.91 138.54 28.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.248 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.0 t -130.73 -172.37 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.192 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.4 p -163.69 171.97 5.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 175.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.5 Cg_exo -51.44 -28.74 28.73 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.704 1.603 . . . . 0.0 111.203 179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -110.3 -32.82 6.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 -176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.7 t -96.33 145.6 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 -172.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.2 156.28 63.26 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.16 123.02 12.76 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.66 1.573 . . . . 0.0 111.19 177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -135.37 152.38 51.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -58.01 117.53 4.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.244 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.5 tp -88.99 -57.24 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -167.81 173.88 7.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -172.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.47 132.03 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.189 173.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.7 mt -131.19 134.4 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.198 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.35 143.63 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -81.6 71.6 8.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 -171.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -62.46 -48.29 80.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.254 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -145.63 143.32 19.56 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.211 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.11 150.07 53.33 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.673 1.582 . . . . 0.0 111.18 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.5 mmm -103.38 -1.94 27.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -132.88 67.73 1.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.38 -143.35 16.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.4 mt -111.92 160.07 17.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 111.201 -176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -142.25 -84.85 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 p 55.67 33.41 21.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -95.2 164.02 13.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -70.91 83.88 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.175 178.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.5 mt -74.23 148.82 41.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.193 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.17 141.82 33.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.188 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -105.72 164.37 11.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.3 t -54.89 -41.65 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.208 176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -64.88 -15.32 61.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 -175.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -84.23 -4.15 58.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 101.38 32.12 5.31 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.33 88.2 2.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 0.0 111.254 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -112.95 108.43 17.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.227 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 82.7 t -81.75 131.72 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 174.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -67.73 115.63 7.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.6 p-10 -111.11 24.9 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.4 t -96.34 138.94 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.7 p -94.28 -5.23 47.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.232 173.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.41 -32.14 12.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 -177.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.3 -40.51 97.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.238 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.63 -6.98 77.63 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -112.95 24.37 12.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.815 0.34 . . . . 0.0 111.216 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -60.27 136.2 49.68 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.92 -24.23 21.92 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -75.64 147.66 39.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 111.193 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -100.05 124.77 45.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.248 -175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -91.71 119.55 31.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.197 174.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 99.2 t -101.37 122.22 53.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -86.81 154.41 55.64 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -67.45 -17.04 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.706 1.604 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.07 -24.29 63.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.206 174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -83.08 147.19 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 86.5 m -63.59 126.69 28.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.191 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -72.86 -27.48 61.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 -174.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.54 -41.09 99.83 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.1 p -74.46 -30.41 61.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 177.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.92 93.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.191 175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -70.84 -17.84 62.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.199 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.0 p -95.72 7.27 46.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -178.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 64' ' ' VAL . 74.2 t -71.57 132.78 32.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.08 155.36 50.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.225 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.7 120.99 40.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.217 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -96.52 119.97 35.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 173.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 59.7 tp -108.93 123.01 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -109.89 118.02 35.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 170.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.09 118.52 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.231 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 73.9 m -123.28 92.27 49.09 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -71.02 146.01 51.31 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.736 1.624 . . . . 0.0 111.214 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -114.06 169.55 8.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.183 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.43 -168.65 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 169.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.45 -8.68 8.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -97.71 109.17 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.19 -17.37 64.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.234 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.12 -18.71 60.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.189 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.55 133.46 35.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.158 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.1 p -118.75 5.83 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.213 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.48 152.65 12.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.183 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.9 155.93 57.15 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.72 1.613 . . . . 0.0 111.2 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -90.19 -177.98 5.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -57.04 -47.27 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.7 tt0 -54.17 -50.72 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -64.11 -42.11 96.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.1 -39.25 91.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.53 -43.3 85.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.99 -28.15 65.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.9 mtm -93.84 5.88 50.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.25 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 93.3 p -63.67 -25.61 68.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -64.28 -25.36 68.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 87.9 t -96.66 -39.31 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -66.08 -24.51 66.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 -174.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -92.22 15.24 14.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.9 mt -88.1 156.71 51.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -56.93 143.29 92.45 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.716 1.61 . . . . 0.0 111.18 175.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -80.17 140.23 36.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -162.46 112.78 1.5 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.008 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -177.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.8 0.333 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -77.52 87.29 3.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.0 t -63.87 137.32 57.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -104.72 17.93 23.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 173.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.98 131.95 7.34 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.4 m -97.49 149.96 21.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.836 0.35 . . . . 0.0 111.2 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -115.92 142.39 46.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -117.67 112.94 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.199 -175.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -121.24 158.08 28.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.198 -175.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.49 128.98 8.75 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.6 mt -127.68 133.18 68.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -82.14 118.61 72.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 175.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -75.89 158.06 38.82 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.702 1.602 . . . . 0.0 111.219 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.0 p -122.03 157.29 31.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -85.0 126.81 33.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.0 t -90.02 121.3 68.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.18 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -54.34 126.89 23.7 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.718 1.612 . . . . 0.0 111.153 177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -165.92 150.5 8.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.3 p -78.92 -10.47 59.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 176.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -62.77 131.1 94.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.73 -34.06 72.86 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.736 1.624 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -78.03 144.38 36.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -176.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 88.6 m -84.9 127.46 34.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.7 t -104.28 115.41 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.186 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -100.76 126.8 47.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -112.01 129.92 56.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.196 -177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 50.7 t -97.1 116.73 29.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.155 175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.9 m -63.61 127.42 31.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.209 -177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.6 tp -119.99 110.05 36.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -55.55 139.66 82.74 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.704 1.603 . . . . 0.0 111.235 -178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -75.89 81.73 2.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 72.6 t -105.81 110.95 32.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.2 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -88.56 75.46 8.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.73 166.9 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.256 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -71.12 82.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.45 157.62 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 -175.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 64.6 m -123.24 155.36 37.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -125.87 137.93 53.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.7 m -117.09 121.9 42.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.223 174.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -104.73 131.89 51.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.216 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -126.9 127.95 45.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -87.41 107.91 18.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 83.9 t -107.59 135.43 46.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -171.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.0 t -108.74 113.83 45.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.161 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.5 t -70.27 -43.27 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.168 -171.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -67.36 -27.75 67.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.167 -174.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.1 mt -96.81 -13.12 22.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 61.7 44.94 8.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.34 -167.38 2.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.16 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 95.8 p -148.26 164.19 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.401 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 95.1 t -79.08 135.31 26.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.405 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 65.9 t0 -70.42 74.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -172.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.6 p -179.27 143.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 41.1 p -118.13 142.1 47.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.3 t -111.65 131.27 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -113.06 133.8 54.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.238 -170.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -120.57 155.06 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 170.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -143.29 138.69 29.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 70.4 p -132.09 -173.43 3.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.241 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.488 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 16.8 p -156.41 172.08 6.55 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 175.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.488 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 90.2 Cg_exo -51.15 -27.46 22.41 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.739 1.626 . . . . 0.0 111.18 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -109.72 -33.51 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.2 t -95.88 138.77 33.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -171.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.5 pm0 -75.69 158.93 82.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -56.08 122.53 11.92 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.668 1.579 . . . . 0.0 111.218 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.31 150.56 50.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -58.06 117.42 4.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.185 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.1 tp -87.35 -58.23 2.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -168.76 174.37 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -171.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.34 22.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 173.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.4 mt -131.07 135.58 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -174.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.87 142.46 58.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -82.14 69.94 8.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -171.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -66.71 -49.5 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.0 t -138.98 142.84 34.77 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.183 -176.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -75.41 158.25 40.68 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.653 1.569 . . . . 0.0 111.224 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.1 mmm -108.62 12.34 25.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -133.58 47.27 2.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.42 -116.23 5.5 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -114.28 161.24 18.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.815 0.34 . . . . 0.0 111.221 -174.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.463 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 68.4 ttp85 -141.9 -84.95 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.209 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p 55.66 33.5 21.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.218 176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.463 ' H ' ' HG2' ' A' ' 101' ' ' ARG . 99.3 mttt -94.83 150.85 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 -175.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.5 t-20 -72.91 84.35 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.6 mt -78.92 153.66 30.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.5 mt -80.65 141.69 34.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -177.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -105.48 164.18 12.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 55.8 t -56.0 -40.95 66.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.65 -17.21 62.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.181 -175.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -75.93 -16.78 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.205 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.12 36.69 0.85 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -136.53 139.61 42.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.832 0.349 . . . . 0.0 111.165 -177.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -151.77 110.87 3.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.212 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 74.2 t -84.27 133.69 28.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 174.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -68.91 113.98 6.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -108.8 23.56 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.68 139.35 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 178.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.9 p -94.4 -4.55 48.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 173.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -96.56 -32.16 12.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -62.74 -41.42 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.218 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.81 77.33 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -112.15 23.29 13.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.819 0.342 . . . . 0.0 111.202 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.05 135.89 48.64 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 109.23 -24.97 19.58 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -74.48 146.73 42.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.266 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.1 tp -101.3 125.2 47.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 -175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -92.59 125.53 37.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 86.9 t -106.72 125.29 62.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.256 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -91.91 155.35 43.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.197 -177.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -66.88 -16.06 48.83 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.724 1.616 . . . . 0.0 111.226 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.86 -24.21 63.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.65 146.24 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.8 m -64.15 125.5 24.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -73.17 -27.68 61.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.231 -174.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.54 -35.86 92.6 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.2 p -79.78 -33.66 40.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.22 176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.37 76.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.23 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.87 -20.85 66.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.412 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 97.2 p -105.75 17.59 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -173.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.4 t -75.26 127.82 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 173.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -134.78 155.17 51.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.186 -178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 49.1 t -99.94 119.07 37.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.7 ttp180 -97.81 121.38 39.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -109.37 120.8 43.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.215 -172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -104.83 115.85 31.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 173.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.0 ttp -104.57 117.71 34.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 80.5 m -122.57 91.8 49.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 -176.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -70.86 146.08 52.45 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.709 1.606 . . . . 0.0 111.172 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 49.1 m95 -113.33 169.29 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.04 -168.71 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 169.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.0 p -123.39 -8.07 8.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -98.93 108.81 21.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 84.9 p -66.11 -17.4 64.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.179 -175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.03 -18.52 60.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.6 mtp -81.69 133.68 35.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.188 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.0 p -118.93 5.87 11.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.69 152.56 11.93 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.236 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.87 155.85 57.37 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.685 1.59 . . . . 0.0 111.18 177.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.1 p30 -90.58 -177.97 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -56.87 -47.11 81.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 56.3 tt0 -54.38 -50.48 67.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 -179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.39 -41.57 96.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.61 -39.12 92.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -66.81 -43.55 83.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.232 176.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -68.02 -31.72 71.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -91.98 6.89 44.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.1 p -63.37 -25.36 68.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.181 -174.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.2 -26.63 68.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.177 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 91.9 t -97.27 -39.29 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.205 176.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -66.38 -25.2 66.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.201 -174.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -87.08 5.74 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.4 mt -80.9 154.83 73.07 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.193 175.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -57.02 142.44 94.06 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.696 1.598 . . . . 0.0 111.191 175.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.08 142.52 36.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.243 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -162.11 113.79 1.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 175.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.979 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 -179.681 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -96.73 123.69 40.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -73.28 132.82 43.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 97.4 mt -106.87 32.23 4.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 171.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 96.95 -167.89 24.36 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 14.3 t -163.35 135.47 5.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.805 0.336 . . . . 0.0 111.198 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -105.96 156.17 18.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 -175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.42 112.5 15.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.178 176.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -111.16 146.83 36.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -95.8 110.71 4.08 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 47.8 mm -111.24 134.28 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.807 0.337 . . . . 0.0 111.215 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -90.56 115.25 63.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.16 176.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -57.92 144.21 94.52 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.743 1.629 . . . . 0.0 111.248 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.7 m -101.92 125.26 48.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -78.01 117.42 19.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 44' ' ' VAL . 90.2 t -113.08 125.71 29.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.205 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.4 155.79 45.81 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.211 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.7 t -156.84 154.44 29.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.229 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.5 p -69.53 -17.42 63.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 175.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -72.76 154.5 91.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 175.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -76.8 61.32 6.99 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.665 1.577 . . . . 0.0 111.244 178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -174.87 154.65 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 -174.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.7 m -108.54 137.8 45.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 36' ' ' VAL . 81.3 t -100.08 119.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.212 -177.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.4 mt -102.17 116.16 32.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.2 177.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -104.63 131.69 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.259 -177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.4 t -97.68 118.31 33.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -62.91 130.87 46.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.0 tp -137.02 112.12 9.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.234 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -54.37 135.8 66.85 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.718 1.612 . . . . 0.0 111.175 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -79.91 75.83 6.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.17 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 88.1 t -99.93 119.42 47.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.199 -177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.89 74.91 8.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.217 -174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 m -134.16 165.57 31.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -71.51 84.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.67 161.3 42.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.6 p -137.35 157.48 46.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.404 ' HA ' ' O ' ' A' ' 145' ' ' ARG . 25.8 m-90 -127.03 137.79 53.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 -172.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 94.2 m -114.84 110.71 20.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 170.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' N ' HD12 ' A' ' 60' ' ' LEU . 9.7 mp -95.78 109.61 21.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -175.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 83.5 tt0 -95.38 119.42 33.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -85.91 106.22 16.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.7 t -108.23 135.77 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 140' ' ' VAL . 60.4 t -111.44 112.37 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.175 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 69.2 t -69.46 -41.24 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.216 -173.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -59.21 -36.85 76.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 -178.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' H ' HG12 ' A' ' 64' ' ' VAL . 93.3 mt -96.55 -13.98 22.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -177.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 61.73 46.49 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -154.07 -169.97 3.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.6 m -134.83 166.11 23.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 73' ' ' VAL . 65.4 t -81.18 145.32 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 175.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -79.11 11.46 2.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 -168.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 71' ' ' VAL . 7.6 p -148.52 136.28 14.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.214 174.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.8 p -108.03 168.75 9.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.4 m -108.49 119.21 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -106.04 123.74 48.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.211 -173.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -112.87 158.37 20.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.223 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -146.78 135.86 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.9 t -117.57 -169.51 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.206 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 83' ' ' SER . 28.8 t -163.09 153.01 13.23 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.217 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -49.16 -28.43 14.39 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.708 1.605 . . . . 0.0 111.24 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -125.69 36.76 4.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.178 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.47 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 47.3 t -168.18 142.56 3.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.203 172.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.5 pm0 -74.15 161.02 80.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -56.73 127.37 25.61 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.721 1.614 . . . . 0.0 111.182 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -133.33 147.08 51.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.185 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -59.65 118.91 6.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.177 177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.6 tp -94.76 -51.04 4.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 -177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.15 160.49 16.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 -173.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.89 143.18 29.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 167.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.2 mt -119.53 123.14 70.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.4 mt -77.71 146.3 36.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -102.52 31.55 4.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.254 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -79.49 -34.49 41.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.207 -174.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 90.3 m -130.23 100.83 18.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -71.79 -177.36 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.676 1.584 . . . . 0.0 111.231 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.6 mmm -78.06 -9.41 59.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.19 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -130.42 67.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 -176.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.1 -151.04 19.39 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 88.3 mt -106.42 154.16 21.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.796 0.331 . . . . 0.0 111.232 177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -73.72 117.37 15.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 63.7 p -103.8 -12.86 16.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.176 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.19 134.88 54.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.174 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -70.85 84.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.234 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 88.0 mt -93.07 157.71 16.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.218 177.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 69.2 mt -83.0 137.56 34.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.226 -171.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -107.43 165.44 11.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 -175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 62.6 t -53.15 -38.88 31.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -66.84 -16.86 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.212 -178.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -87.74 -3.1 58.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 94.81 19.97 30.06 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.07 98.43 5.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -126.03 123.06 37.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 79.6 t -92.0 128.58 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -72.52 114.22 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -99.21 14.45 29.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.23 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -99.2 151.04 21.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.219 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 69.9 p -110.1 3.4 20.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 172.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.47 -30.95 11.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -61.66 -39.64 92.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.71 -15.7 56.86 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -99.59 19.4 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.88 118.24 10.54 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 105.53 -18.07 41.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -82.0 154.77 25.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.774 0.321 . . . . 0.0 111.182 -175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 63.7 tp -101.93 123.21 45.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -84.71 133.32 34.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.234 176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.3 t -110.31 118.86 58.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 173.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -104.52 163.6 16.92 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.231 -176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -54.02 -27.77 47.01 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.698 1.599 . . . . 0.0 111.161 179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -61.97 -31.53 71.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.252 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.03 142.42 33.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.231 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 88.5 m -66.45 134.21 52.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.4 p -75.06 -30.54 61.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -173.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.11 -40.32 96.85 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.6 m -64.93 -41.89 95.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 111.219 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.67 -41.39 77.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.202 179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -71.95 -13.29 61.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.406 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.8 p -105.99 13.62 29.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -178.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.455 HG22 HG22 ' A' ' 64' ' ' VAL . 77.6 t -73.52 131.98 34.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 174.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -132.79 145.94 51.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.244 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 44.0 t -99.92 112.49 24.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 -175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 68.4 ttt180 -88.78 106.99 18.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.185 176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.7 tp -93.54 99.19 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.208 -171.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' ' 58' ' ' TRP . 79.4 ttt180 -89.36 106.75 18.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 178.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 62.3 ttp -104.73 107.47 18.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.197 -175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 79.8 m -110.08 100.63 44.49 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 72.2 Cg_endo -73.24 145.33 38.66 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.699 1.6 . . . . 0.0 111.167 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 78.4 m95 -124.15 160.93 26.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.182 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -153.36 -168.77 3.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 171.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 96.9 p -122.3 -8.92 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.179 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -90.0 101.94 14.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -67.16 -15.79 63.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -173.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.35 -19.02 61.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.1 mtp -82.49 136.63 34.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.22 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.5 p -113.6 1.86 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.17 174.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -165.59 156.04 11.81 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.201 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -55.55 144.6 73.5 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.705 1.603 . . . . 0.0 111.188 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -89.1 -178.5 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -54.35 -48.88 70.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -54.14 -50.52 66.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.6 mtp -63.24 -44.19 95.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 92.2 mt -62.8 -38.57 91.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.89 -47.66 71.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.54 -30.22 69.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 97.2 mtp -94.35 4.9 53.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 92.8 p -59.74 -30.14 68.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -173.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -48.89 77.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.217 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.09 -30.24 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 80.2 mt -67.9 -29.37 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -90.69 21.68 3.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.9 mt -91.6 154.17 44.09 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 171.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.45 144.3 92.16 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.662 1.575 . . . . 0.0 111.164 176.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.3 152.07 24.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 -178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -87.83 93.38 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.966 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 176.192 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.778 0.323 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -119.77 120.64 37.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.3 t -66.07 133.27 50.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.4 mt -104.38 18.49 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.82 171.78 26.52 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 75.4 m -133.02 143.79 49.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 -179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -112.89 143.91 43.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.23 176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -119.11 110.3 16.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -172.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -122.73 160.63 25.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 -173.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.79 133.26 11.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -123.03 132.9 70.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 111.214 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -80.41 114.16 45.09 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 172.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.53 160.83 34.85 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.707 1.604 . . . . 0.0 111.201 -175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -109.61 127.96 54.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -88.23 124.08 33.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.4 t -117.75 127.59 26.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -74.15 156.72 46.81 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.718 1.612 . . . . 0.0 111.205 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -152.93 154.78 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.199 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -70.21 -17.73 63.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -72.39 158.46 87.44 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 174.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -75.27 60.8 5.73 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.714 1.609 . . . . 0.0 111.159 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 178.53 148.76 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 -171.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.2 p -111.63 157.99 19.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.22 175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 65.5 t -111.84 125.2 69.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 -176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.1 mt -103.93 113.98 27.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.214 172.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -101.73 134.18 45.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.228 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.6 t -108.78 91.7 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 94.6 m -69.69 128.3 35.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.179 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.4 mt -109.0 137.42 20.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -58.12 144.54 94.93 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.666 1.578 . . . . 0.0 111.211 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -77.01 82.78 3.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.439 HG12 HG22 ' A' ' 54' ' ' VAL . 65.0 t -107.38 111.26 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.24 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -91.32 74.73 6.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 52' ' ' VAL . 21.6 m -135.23 167.75 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.165 176.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -71.13 82.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.89 156.28 42.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.166 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.3 t -125.81 147.26 49.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.8 m-90 -121.85 136.0 54.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -175.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.4 m -116.27 126.88 54.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 69.6 mt -106.21 134.75 48.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.234 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -130.09 128.43 41.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 168.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.4 m95 -86.96 124.27 32.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 -176.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 88.7 t -117.22 133.51 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.159 -172.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 140' ' ' VAL . 47.4 t -106.92 108.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.198 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.2 -41.29 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -60.18 -38.39 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 -178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' H ' HG12 ' A' ' 64' ' ' VAL . 97.9 mt -93.93 -12.58 28.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -177.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 61.88 46.19 6.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.74 -167.06 2.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.6 p -147.56 168.96 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.402 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 87.3 t -86.4 144.72 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -80.71 45.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.224 -169.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.6 t -144.68 134.91 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 59.5 p -111.03 135.62 51.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 170.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.7 t -113.18 130.55 56.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 -177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -114.15 132.49 56.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.167 -171.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -117.34 159.21 23.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 174.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -145.78 139.67 26.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.1 t -134.8 -169.15 2.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.17 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 13.0 p -166.88 173.09 3.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.5 Cg_exo -51.77 -29.59 34.59 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.73 1.62 . . . . 0.0 111.212 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -109.88 -31.16 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.227 -176.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.419 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.6 t -97.07 144.86 26.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -173.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.83 155.79 58.49 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.249 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -54.27 121.2 9.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.647 1.565 . . . . 0.0 111.21 177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -133.7 149.73 51.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.165 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.1 116.86 3.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.34 -56.74 3.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.207 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.7 ptt180 -166.35 170.05 13.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -174.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.75 136.45 40.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.153 172.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.0 mt -130.98 136.73 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.5 138.1 57.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -79.24 77.37 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.192 -173.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -80.65 -28.4 36.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.24 177.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.8 m -123.94 116.9 27.36 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.237 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -76.99 174.75 12.34 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.689 1.593 . . . . 0.0 111.217 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 96.1 mmm -70.7 -24.3 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.225 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.66 64.38 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.88 -118.28 6.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.21 158.9 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.1 ptt85 -118.34 153.95 33.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.9 p -112.98 -23.33 10.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 175.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -89.09 155.7 19.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -98.03 143.72 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.207 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.9 mp -88.61 175.25 7.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.0 mt -68.33 138.75 55.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.181 -171.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.49 176.02 5.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.3 p -59.24 -29.0 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -61.73 -21.33 64.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.246 176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -96.83 -1.56 45.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.72 18.66 47.12 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -123.04 104.53 9.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.232 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -131.2 119.09 21.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -87.7 135.34 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -71.56 112.96 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -102.84 15.66 28.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 -178.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -94.89 146.18 24.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 60.8 p -95.34 -9.44 32.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -98.01 -31.24 12.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.208 -174.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -62.06 -40.94 97.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.67 -13.25 59.52 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -99.58 17.0 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 178.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.57 118.45 10.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -173.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.63 -18.25 32.46 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.51 158.96 16.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 111.235 -174.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.8 tp -103.39 127.82 50.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 -169.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -89.48 131.89 35.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.96 122.11 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 177.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -106.98 164.06 15.63 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.194 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -54.94 -26.46 49.05 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.705 1.604 . . . . 0.0 111.206 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.89 -29.5 70.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.68 142.01 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.6 m -64.22 135.63 56.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.49 -44.05 88.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.94 -44.78 96.84 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 177.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.5 m -59.58 -42.82 93.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 111.189 177.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.97 -43.43 81.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -71.85 -18.96 62.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.1 p -94.08 6.98 46.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.467 HG22 HG22 ' A' ' 64' ' ' VAL . 76.1 t -73.24 134.42 29.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 178.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.88 153.39 51.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.0 t -100.08 119.24 38.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.22 -177.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -96.58 121.62 38.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.231 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 52.9 tp -107.24 125.7 51.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 -174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -109.84 115.6 30.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.249 169.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.3 ttp -102.91 113.86 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.194 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 76.6 m -120.8 88.41 43.95 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -68.56 151.43 75.29 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.685 1.59 . . . . 0.0 111.209 175.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -145.04 162.84 35.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.204 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.2 t -142.39 -177.17 5.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.9 p -106.7 -8.43 16.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.192 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -81.97 104.99 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.236 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 87.1 p -66.99 -16.05 64.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -176.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -92.16 2.1 56.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 60.2 ttm -103.2 127.47 50.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 78.9 p -117.11 6.07 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -160.98 152.39 16.01 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.3 152.49 61.25 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.717 1.611 . . . . 0.0 111.189 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -91.45 -178.36 5.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -47.0 79.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 64.3 tt0 -54.08 -51.1 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.189 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -63.63 -43.25 97.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.76 -38.97 92.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.04 -43.94 86.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 175.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -68.36 -30.35 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.7 mtm -90.68 4.29 51.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.173 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.2 p -63.3 -25.33 68.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 -174.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.69 -26.28 68.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.0 t -95.76 -39.96 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.0 mt -64.44 -27.77 69.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 -175.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -85.16 4.93 32.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.0 mt -81.57 153.63 70.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.89 142.13 96.27 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.695 1.597 . . . . 0.0 111.2 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -76.98 141.28 40.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 178.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -155.06 126.81 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.178 176.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.051 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.321 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -99.19 128.52 45.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.193 -177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.4 t -75.0 134.06 41.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 93.9 mt -108.37 31.84 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.183 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 -172.51 24.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -174.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 15.7 t -163.29 136.5 5.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 111.162 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -106.96 150.73 26.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 -175.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -123.53 114.71 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.241 -178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 174' ' ' ASN . 73.8 mmtt -120.68 163.5 17.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.208 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.87 126.15 7.69 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 142' ' ' CYS . 47.5 mm -113.27 131.92 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 111.205 178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -82.3 114.69 53.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.225 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -57.46 141.2 94.96 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.691 1.594 . . . . 0.0 111.167 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 95.8 m -102.35 119.74 39.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 174.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -78.72 116.59 19.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.179 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 86.4 t -114.29 126.64 27.72 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 -177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.17 154.14 46.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.707 1.604 . . . . 0.0 111.181 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.3 t -154.73 153.47 31.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.242 -178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -69.85 -16.84 63.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.168 174.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -72.28 154.2 92.08 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.183 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.93 64.0 6.8 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.704 1.603 . . . . 0.0 111.196 177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.6 ptt180 179.93 148.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.223 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.8 m -99.73 137.63 37.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.8 t -99.14 117.71 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -177.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.8 mt -99.65 111.46 23.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -95.88 128.43 42.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.237 -176.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -100.49 115.44 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.182 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.9 m -65.41 129.76 40.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.197 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 68.7 tp -134.56 111.37 11.52 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -54.7 136.09 69.81 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.689 1.593 . . . . 0.0 111.229 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -82.41 74.93 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.178 -176.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -93.9 123.05 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -87.93 75.59 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.193 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.4 m -134.88 162.71 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t-20 -72.14 82.4 0.99 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 174.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.27 159.11 44.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 -177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.6 p -122.01 156.26 33.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.216 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 26.6 m-90 -128.4 138.38 52.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 88.1 m -117.21 127.68 54.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.4 mt -107.98 113.75 27.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -107.28 122.79 47.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.223 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -86.06 106.65 17.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.14 132.67 63.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -172.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.45 HG12 ' H ' ' A' ' 67' ' ' LEU . 63.5 t -106.6 121.71 59.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.172 -174.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 79.0 t -69.78 -48.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -67.51 -26.91 66.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.197 -172.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' H ' HG12 ' A' ' 64' ' ' VAL . 95.0 mt -96.63 -18.44 19.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 61.49 46.15 7.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.209 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -152.33 -168.9 3.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t -145.21 149.55 35.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -172.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.501 HG12 ' H ' ' A' ' 73' ' ' VAL . 95.8 t -72.63 140.36 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 177.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -79.7 8.39 6.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.238 -166.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' HG12 ' A' ' 71' ' ' VAL . 95.5 t -129.08 135.14 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 171.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 78.2 p -115.93 157.18 24.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 175.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.6 m -110.97 129.75 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 -173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -110.34 132.74 53.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -117.76 159.29 23.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.206 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -144.72 137.66 26.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 83' ' ' SER . 21.8 t -133.18 -168.7 2.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.185 178.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.481 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -163.15 172.43 5.24 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.195 175.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 92.9 Cg_exo -52.14 -28.31 32.82 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.663 1.575 . . . . 0.0 111.224 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.91 -31.28 7.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.214 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' A' ' 79' ' ' SER . 41.4 t -97.48 145.05 26.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.226 -171.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -81.05 154.45 72.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.207 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.09 124.0 15.2 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.685 1.59 . . . . 0.0 111.21 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -133.99 150.41 51.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.203 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -57.98 116.86 3.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 64.0 tp -83.97 -58.05 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.172 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -174.13 157.58 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 -175.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -98.05 136.15 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 171.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 90.5 mt -131.67 138.52 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.209 -177.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.36 140.86 52.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -77.55 72.54 4.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.199 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -63.32 -37.9 89.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -170.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.4 t -155.51 143.62 14.35 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.179 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -75.99 167.19 26.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.703 1.602 . . . . 0.0 111.213 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.4 mmm -81.12 -12.08 59.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -102.37 63.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.06 -120.81 9.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -114.5 151.75 32.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.236 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.7 ptt85 -72.06 149.61 44.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 81.4 p -110.86 -24.73 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 176.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -106.41 164.21 12.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.258 176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -79.11 144.35 34.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 87.3 mt -81.0 152.03 28.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.246 -176.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 76.4 mt -82.78 131.64 35.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -106.45 165.02 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -173.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 60.4 t -55.51 -39.89 56.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.39 -17.13 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -88.75 -2.86 58.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.08 20.62 25.27 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -124.24 96.02 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.78 0.324 . . . . 0.0 111.232 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -120.3 125.31 47.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 -174.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.15 127.86 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -73.14 115.09 12.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.184 -174.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -101.18 16.15 26.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -177.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.3 t -98.39 147.62 24.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.0 p -102.45 -2.57 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.222 172.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -97.87 -30.7 12.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -62.87 -39.68 95.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.86 57.38 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -101.79 19.97 17.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.803 0.335 . . . . 0.0 111.18 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -56.08 117.84 9.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -174.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 107.45 -20.12 32.94 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -87.36 164.66 16.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.833 0.349 . . . . 0.0 111.16 -172.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 59.8 tp -107.58 128.57 54.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -171.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -91.01 132.35 36.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 174.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.3 t -108.04 115.48 49.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -100.41 164.45 16.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.235 -177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -53.5 -28.71 46.13 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.699 1.599 . . . . 0.0 111.201 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.48 -29.82 70.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -76.76 143.45 39.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.429 HG22 ' H ' ' A' ' 135' ' ' GLY . 91.1 m -73.76 131.91 42.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.213 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.3 p -69.76 -26.56 64.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . 0.429 ' H ' HG22 ' A' ' 133' ' ' THR . . . -65.66 -24.18 71.02 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 176.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 133' ' ' THR . 97.4 p -83.37 -34.55 25.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.224 175.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -62.85 -32.72 74.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -88.73 -24.11 22.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 85.1 p -103.38 -5.0 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 -172.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 64' ' ' VAL . 7.5 p -68.65 144.27 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 173.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -135.88 150.57 49.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.279 177.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 31' ' ' ILE . 53.6 t -94.36 112.01 23.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -85.28 113.16 21.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 68.7 tp -97.08 111.09 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.24 -173.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -106.76 114.77 29.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.195 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.9 ttp -110.53 115.33 29.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.199 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 64.2 m -118.12 96.6 49.9 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.203 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -59.68 140.02 91.58 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.715 1.61 . . . . 0.0 111.208 177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 91.6 m95 -121.46 161.05 22.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 13.4 t -152.65 160.7 43.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 173.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 95.0 p -88.17 -13.54 40.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 173.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.2 t-20 -92.65 98.21 11.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.208 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -69.64 -13.9 62.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -172.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -72.93 -20.91 60.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -76.43 141.4 41.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.233 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.2 p -115.81 -0.26 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.76 153.6 14.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.215 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.87 154.99 63.07 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.706 1.604 . . . . 0.0 111.169 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -92.36 -177.49 4.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -55.87 -46.97 78.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -54.69 -51.73 64.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 -178.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.94 -49.17 75.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 -177.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.6 mt -63.64 -38.88 92.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -62.68 -46.55 87.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.176 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -66.87 -31.55 72.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.209 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.3 mtm -89.03 5.35 44.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 91.1 p -63.53 -24.32 67.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.35 -25.59 68.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 89.1 t -97.15 -41.37 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.187 175.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.9 mt -65.83 -27.75 68.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -91.12 15.74 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.6 mt -92.95 153.61 41.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 172.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -54.95 134.33 62.9 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.663 1.576 . . . . 0.0 111.207 174.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 28.1 p30 -84.08 165.78 18.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.234 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -154.25 129.7 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.975 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.666 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.786 0.327 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -118.18 129.12 55.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 177.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 31.4 t -69.4 133.69 48.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.9 mt -107.03 26.18 10.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.227 173.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.26 168.63 42.77 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -173.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 146' ' ' MET . 74.8 m -129.9 147.74 51.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.774 0.321 . . . . 0.0 111.2 -178.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -115.69 144.58 43.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -121.76 110.78 16.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -172.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -123.51 163.8 20.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 -173.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.44 136.09 12.96 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.411 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 96.6 mt -119.59 135.04 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 111.174 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.6 t-20 -85.39 113.1 48.76 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 31' ' ' ILE . 52.5 Cg_exo -60.92 148.59 92.05 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.68 1.587 . . . . 0.0 111.176 -178.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.1 m -101.25 124.62 47.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -77.57 117.11 18.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.35 125.32 28.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -74.6 154.59 44.67 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.701 1.6 . . . . 0.0 111.22 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.6 t -155.5 151.63 27.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.7 p -71.71 -15.43 62.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -70.88 155.16 93.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.218 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -75.87 64.09 6.76 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.718 1.612 . . . . 0.0 111.234 178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 179.75 147.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.235 -172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.7 m -97.2 136.24 37.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 82.8 t -100.15 114.16 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.9 mt -102.54 112.67 25.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.257 178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.27 127.82 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.3 t -90.21 103.88 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 174.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.0 m -57.81 125.27 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.214 -176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -116.37 102.96 53.39 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.211 -179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -57.39 145.52 87.54 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.721 1.614 . . . . 0.0 111.188 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -76.1 85.45 2.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.168 -176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.7 t -101.32 115.01 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -95.1 68.95 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 176.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.8 t -134.7 145.35 32.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -67.02 83.98 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 -178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -152.41 162.84 40.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.222 -175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 88.8 p -114.53 153.96 29.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.8 m-90 -130.4 139.85 50.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.1 m -115.15 132.93 56.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 75' ' ' SER . 59.2 mt -113.35 122.22 46.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.254 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -114.8 126.1 54.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.22 175.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -90.17 124.31 34.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.39 154.97 38.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 -177.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 140' ' ' VAL . 47.5 t -123.55 114.42 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.191 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 71.0 t -70.03 -46.66 72.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 -170.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -67.39 -32.1 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.248 -172.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 91.2 mt -94.14 -17.43 22.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 61.68 48.87 5.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 -175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 63.6 p -130.22 174.69 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -178.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.3 t -150.61 142.86 24.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 73' ' ' VAL . 79.8 t -77.19 126.47 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 -176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.8 p-10 -78.92 1.52 23.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -167.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.505 ' H ' HG12 ' A' ' 71' ' ' VAL . 76.2 t -105.93 119.07 54.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.209 168.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.9 p -107.97 153.0 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.442 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 20.4 t -110.31 132.18 54.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.203 -171.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -116.48 139.21 50.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.198 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -148.64 157.95 43.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 173.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -136.58 160.18 39.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.183 -171.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.7 t -138.23 -169.59 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.187 177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.448 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.5 p -165.99 171.19 5.12 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.448 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 96.7 Cg_exo -52.13 -29.35 36.65 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.39 -32.63 7.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.188 -175.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.0 t -97.32 140.53 31.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -78.56 157.02 77.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -54.31 123.76 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.638 1.559 . . . . 0.0 111.218 176.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -136.74 140.35 42.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.164 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -58.52 129.92 44.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 65.1 tp -99.9 -60.82 1.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.2 ptt180 -172.61 158.06 4.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 -172.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -110.21 142.49 41.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 174.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 79.3 mt -132.89 140.89 46.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 -175.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.99 139.7 58.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -78.47 82.7 4.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.193 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -85.13 -25.44 27.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 174.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 94.2 m -132.79 131.61 22.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 99.4 Cg_exo -49.83 117.57 3.14 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.702 1.601 . . . . 0.0 111.18 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 97.0 mmm -87.91 -13.62 41.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 -174.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -128.28 71.43 1.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.79 -109.08 2.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.2 mt -128.69 149.3 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 0.0 111.181 178.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -101.6 118.26 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 76.9 p -112.98 8.1 18.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.223 170.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -103.73 161.51 13.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -87.64 151.68 22.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.236 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 96.5 mt -84.63 145.45 28.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -173.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 74.6 mt -108.56 141.6 40.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 176.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -107.74 162.6 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.57 -38.96 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.15 -15.54 63.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.169 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -87.44 -3.41 59.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 95.43 20.81 26.19 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -124.57 98.5 5.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.33 125.72 45.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.199 -176.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.0 t -96.15 128.84 46.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 177.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -68.04 115.57 7.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.23 -175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -106.84 25.4 11.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.5 t -101.52 146.19 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.4 p -99.12 -5.78 29.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 172.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -98.18 -30.47 12.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.189 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -61.92 -39.47 92.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 99.46 -13.8 61.14 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -109.66 25.65 11.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 0.0 111.203 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.16 135.21 51.92 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 98.92 -16.0 60.01 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -90.06 159.43 16.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.184 -174.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 58.2 tp -104.32 129.41 52.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -171.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -95.5 130.02 42.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 173.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 78.3 t -108.07 115.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.247 177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -100.48 163.99 17.13 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.192 -174.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -53.55 -28.51 45.8 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.712 1.608 . . . . 0.0 111.205 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -62.38 -31.95 72.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.239 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.94 146.37 32.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.6 m -56.83 124.33 18.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.215 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 98.7 m -69.58 -46.21 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -60.57 -33.47 81.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 59.6 p -68.05 -19.45 64.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.198 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -58.99 -31.91 69.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.18 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -77.94 -8.48 58.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.442 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 93.4 p -111.4 10.77 21.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.209 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 64' ' ' VAL . 90.9 t -74.61 134.59 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.254 174.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -134.66 153.7 51.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.9 t -112.67 115.52 28.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.186 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -90.25 131.74 35.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.7 tp -112.68 125.72 54.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -176.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -117.64 119.39 34.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.179 171.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.432 ' O ' ' HA ' ' A' ' 26' ' ' CYS . 66.0 ttp -106.95 125.78 51.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.19 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.7 m -128.2 91.03 45.49 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.238 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.44 140.44 94.58 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.727 1.618 . . . . 0.0 111.184 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 86.6 m95 -120.59 145.09 47.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.224 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 14.9 t -136.51 -174.52 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 93.8 p -115.98 -5.12 11.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -87.67 103.75 15.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.227 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.8 p -66.88 -16.22 64.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.221 -177.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -91.38 0.32 57.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 59.9 ttm -103.99 127.29 51.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.181 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 74.9 p -117.17 7.92 13.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 -175.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -161.14 151.18 14.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.87 156.42 56.67 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.666 1.577 . . . . 0.0 111.216 177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.8 p30 -92.41 -178.53 4.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.208 -177.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -57.12 -47.6 80.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.18 -177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -54.42 -50.08 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.18 -178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.8 mtp -62.48 -44.56 96.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.18 -37.91 87.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.215 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.31 -43.31 86.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.55 -23.19 60.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.0 mtm -95.67 6.19 49.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.405 ' HA ' ' HB2' ' A' ' 170' ' ' LEU . 87.2 p -64.08 -20.46 65.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -176.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -64.07 -28.22 69.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.66 -24.38 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.209 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 167' ' ' SER . 83.1 mt -69.84 -24.06 63.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.16 178.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -90.92 18.11 7.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.209 178.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.6 mt -89.03 155.62 49.58 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.198 172.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -58.12 142.84 97.28 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.659 1.573 . . . . 0.0 111.222 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -83.01 121.87 27.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -139.87 136.17 33.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.017 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 178.066 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.81 0.338 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -111.78 102.94 11.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.7 t -64.18 134.19 54.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 -178.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -102.61 15.57 28.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.59 161.12 22.19 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.5 m -123.76 147.15 47.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 111.186 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -117.08 143.37 45.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 176.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -121.45 109.5 14.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -122.69 159.88 27.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -174.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -108.26 133.14 11.49 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.5 mt -120.49 131.29 73.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.34 . . . . 0.0 111.181 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -80.92 113.65 42.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -77.54 159.74 32.07 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.683 1.589 . . . . 0.0 111.176 -176.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 98.0 m -110.81 128.46 55.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -88.01 123.95 33.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.211 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.5 t -117.27 127.52 26.63 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -74.23 157.69 45.75 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.705 1.603 . . . . 0.0 111.194 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.1 t -153.67 155.21 35.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.3 p -70.17 -17.65 63.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.214 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -73.11 158.32 87.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.234 174.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -75.14 61.02 5.7 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.663 1.575 . . . . 0.0 111.172 176.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 178.59 148.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.185 -171.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.5 p -112.2 158.0 20.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 175.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 67.1 t -111.84 124.98 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.32 112.88 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.179 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -100.98 134.02 44.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 -172.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.6 t -103.61 96.16 6.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.18 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 92.3 m -65.3 127.07 30.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 83.4 mt -108.6 128.53 25.4 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -56.67 143.02 90.79 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.702 1.601 . . . . 0.0 111.213 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -72.77 78.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.177 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 92.3 t -106.82 114.16 45.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -94.45 71.66 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.202 178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 82.7 t -133.64 145.73 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.199 -179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -68.16 83.45 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.233 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.22 156.42 45.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.199 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.6 t -102.28 119.27 38.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.429 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 12.5 m0 -102.35 124.09 47.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -176.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 90.1 m -118.48 126.29 51.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.196 176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.6 mt -106.81 135.12 48.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -130.52 130.06 43.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.179 171.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 97.7 m95 -86.38 124.78 33.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.4 t -120.25 135.41 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 -172.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 140' ' ' VAL . 48.9 t -108.33 113.08 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.9 -43.66 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -173.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.38 -30.31 70.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 97.0 mt -95.69 -14.42 23.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.192 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 61.6 45.82 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.6 t -153.41 -167.65 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.206 -177.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.51 174.16 11.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 63.4 t -88.46 143.11 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.434 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 55.4 t0 -76.99 67.39 2.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.177 -171.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.434 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 13.4 p 178.59 144.14 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.2 176.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 43.9 p -115.46 143.48 45.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.2 t -111.98 129.6 56.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.238 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -112.25 130.52 55.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 -172.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.429 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 26.3 m-85 -115.67 142.52 46.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.189 175.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -106.64 135.93 47.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.8 p -142.66 164.86 28.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.189 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.493 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.8 p -160.54 173.74 4.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 99.2 Cg_exo -51.8 -28.66 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.698 1.598 . . . . 0.0 111.228 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -109.71 -30.92 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 -177.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.3 t -95.78 137.85 34.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.212 -171.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -82.24 156.45 69.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -53.41 117.06 3.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.667 1.578 . . . . 0.0 111.226 177.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -132.69 145.16 50.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.197 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -57.5 117.24 3.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.195 -176.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 67.0 tp -91.91 -55.9 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -166.79 170.22 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.225 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.67 135.39 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 173.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.1 mt -130.58 134.99 61.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.229 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.5 mt -54.47 135.85 45.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 -179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.75 82.44 4.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.163 -172.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -85.97 -26.07 25.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 170.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -125.21 113.18 26.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 173.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.23 174.56 12.63 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.734 1.623 . . . . 0.0 111.193 -178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 68.5 mtt -68.45 -25.67 65.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.183 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.09 64.57 0.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 71.7 -118.79 7.27 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.8 mt -118.74 157.9 26.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -116.05 152.82 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.8 p -111.6 -22.22 11.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -98.47 162.36 13.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -91.45 154.18 19.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 86.8 mt -105.11 173.93 6.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 -175.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 73.2 mt -69.84 136.04 50.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 -173.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -117.4 174.32 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.196 -175.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.1 t -56.39 -38.49 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.48 -20.98 59.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -92.35 -1.73 56.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -176.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.54 17.23 42.86 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -122.26 99.53 6.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 0.0 111.205 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -126.81 119.71 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.96 130.69 43.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -67.41 114.87 6.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.233 -175.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 p-10 -103.01 15.81 28.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.164 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.2 t -96.17 146.85 24.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.179 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 65.7 p -95.9 -9.15 32.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.175 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -97.82 -30.91 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.61 -40.29 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.196 -177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 101.62 -14.21 57.8 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -99.26 16.18 23.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.179 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.74 118.46 10.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 108.38 -18.45 32.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -91.31 157.82 16.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.859 0.362 . . . . 0.0 111.183 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -103.05 127.19 50.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.195 -169.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -88.66 132.64 34.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 171.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.1 t -111.52 121.63 64.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 177.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.9 163.8 16.2 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.239 -176.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.74 -26.43 47.21 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.21 -30.12 71.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -81.33 142.34 33.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 92.3 m -63.68 134.32 55.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.6 m -65.92 -44.04 86.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.87 -45.15 96.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -59.73 -42.52 93.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 111.197 177.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.81 -43.11 80.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.23 -20.31 63.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.5 p -95.97 11.3 34.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 64' ' ' VAL . 76.4 t -75.45 133.93 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 176.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.5 152.47 51.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.3 t -99.98 116.97 33.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -96.72 121.94 39.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 37.5 tp -104.18 123.07 46.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.5 ttp180 -105.93 116.45 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.226 168.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 67.4 ttp -109.89 111.36 22.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.227 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 82.8 m -118.58 86.06 28.21 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -174.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.26 143.16 82.6 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.721 1.614 . . . . 0.0 111.185 173.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -147.12 164.37 33.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.213 -175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.4 t -144.35 -174.95 4.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.2 p -108.22 -8.51 15.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.4 t-20 -85.29 108.24 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.192 179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.5 p -67.93 -14.06 62.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.224 -175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -81.97 -4.83 57.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.216 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 96.8 mtp -100.59 129.22 46.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 76.6 p -117.19 5.95 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 174.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.06 153.61 15.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.198 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.37 153.99 61.08 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.693 1.595 . . . . 0.0 111.206 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -91.52 -178.35 5.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.215 -176.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -56.9 -47.61 80.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -54.43 -50.19 68.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.211 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.0 mtp -62.91 -44.06 97.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 85.1 mt -62.5 -38.81 91.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -177.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -66.02 -43.38 87.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 175.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -70.91 -26.26 63.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.184 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 75.2 mtm -92.96 4.31 54.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 86.8 p -63.93 -23.66 67.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.2 -173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.44 -27.48 69.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 70.8 t -96.49 -40.06 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.162 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.86 -26.45 68.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -92.06 16.49 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.223 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -91.29 155.65 44.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.221 172.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -57.71 141.34 95.53 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.709 1.606 . . . . 0.0 111.218 175.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -75.83 141.17 42.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.199 178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -153.64 122.81 6.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.963 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.775 0.321 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -77.65 87.97 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.9 t -62.64 137.0 58.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.217 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.1 mt -105.04 18.42 22.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.13 131.31 7.11 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 71.0 m -97.33 150.14 21.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.174 -174.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -116.21 142.96 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -117.99 113.56 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -121.75 160.11 25.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 -175.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -112.4 129.37 8.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 98.0 mt -127.14 134.71 65.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 111.226 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -84.96 111.17 33.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.236 174.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -74.99 158.78 42.05 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.72 1.613 . . . . 0.0 111.22 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.9 p -119.99 156.12 31.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.36 130.09 35.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -96.33 120.32 62.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -176.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -54.55 129.93 37.46 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.719 1.612 . . . . 0.0 111.2 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -164.09 151.39 12.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.8 p -77.13 -12.1 59.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 175.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.72 131.84 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.34 -34.0 68.65 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.67 1.58 . . . . 0.0 111.23 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -79.78 143.04 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 86.6 m -84.92 129.11 34.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.7 t -103.35 117.45 48.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.242 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.79 133.61 46.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.222 177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -121.41 126.64 49.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 54.0 t -96.4 116.97 29.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.176 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 93.5 m -63.07 127.8 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.7 tp -117.17 112.02 40.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -56.96 144.41 89.31 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.715 1.61 . . . . 0.0 111.245 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -75.5 83.06 2.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.187 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.468 HG12 HG22 ' A' ' 54' ' ' VAL . 64.6 t -105.13 118.08 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -97.55 70.43 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.468 HG22 HG12 ' A' ' 52' ' ' VAL . 16.5 m -133.02 165.06 33.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.208 172.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -70.61 82.98 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.34 159.87 44.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.4 m -122.29 153.41 38.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 27.7 m-90 -126.9 137.22 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 92.2 m -117.04 127.58 54.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 176.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 65.7 mt -103.57 134.45 46.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -126.94 128.14 45.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.218 172.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -88.38 107.46 18.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.3 t -107.28 132.88 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -171.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 140' ' ' VAL . 48.6 t -104.83 113.24 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.19 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.5 -43.81 80.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.19 -172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -67.49 -27.53 67.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.182 -174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.35 -12.85 22.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 61.7 45.04 8.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.8 t -154.53 -167.36 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 -178.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.3 p -147.71 163.65 36.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.41 ' HA ' ' HB2' ' A' ' 106' ' ' LEU . 97.7 t -80.66 136.58 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 -178.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 66.0 t0 -70.96 74.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -173.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 14.2 p 179.55 143.58 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.194 173.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 49.1 p -121.0 147.25 45.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.204 177.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.1 t -113.33 131.76 55.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.176 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -110.18 134.68 51.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -172.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -121.86 156.0 34.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 -141.6 139.98 33.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.4 t -131.96 -171.46 2.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.157 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 12.2 p -164.55 172.08 5.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.21 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.4 Cg_exo -51.25 -28.91 27.76 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.653 1.569 . . . . 0.0 111.248 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -110.27 -32.77 6.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -96.25 145.99 25.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.191 -172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -85.11 156.3 60.35 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_exo -55.17 122.75 12.26 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.698 1.598 . . . . 0.0 111.16 177.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -135.12 152.47 51.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.171 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -58.07 117.74 4.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.2 tp -89.73 -57.01 3.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.4 ptt180 -167.31 172.68 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -171.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -138.35 135.27 35.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 172.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 82.7 mt -132.62 136.03 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 -173.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 92.6 mt -73.56 150.0 41.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 178.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -80.63 71.59 7.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.18 -173.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -65.43 -49.09 70.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -145.31 143.29 19.81 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -73.33 149.94 46.02 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.704 1.603 . . . . 0.0 111.182 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.0 mmm -108.04 9.78 28.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -130.34 45.81 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.177 -179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.91 -116.75 5.66 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 81.4 mt -115.54 156.35 25.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 0.0 111.211 -176.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.415 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 42.4 ttm180 -142.23 -84.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.215 178.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 27.9 p 55.26 33.0 19.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' A' ' 101' ' ' ARG . 99.6 mttt -89.23 155.09 19.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 -175.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -72.15 82.13 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.2 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.27 151.25 31.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 71' ' ' VAL . 85.9 mt -80.79 141.59 34.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -176.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -105.54 164.65 11.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.6 t -55.97 -40.76 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.219 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -63.68 -17.19 62.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.197 -175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -75.64 -16.93 60.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.17 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 119.04 36.58 0.87 Allowed Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -136.61 139.24 41.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.329 . . . . 0.0 111.22 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -151.55 111.18 4.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 174.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.31 134.19 27.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 174.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -69.27 113.91 7.04 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -109.69 25.33 11.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 30.8 t -95.89 139.45 32.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 81.2 p -94.52 -3.98 48.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 173.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -96.85 -32.27 12.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.25 -177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.17 -41.81 99.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.88 -6.78 76.9 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -111.99 23.15 14.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 0.0 111.216 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -61.02 136.24 48.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.37 -25.55 15.36 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -73.82 146.76 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 111.255 -176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.26 124.76 48.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.195 -174.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -93.55 125.98 38.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 92.0 t -106.95 124.36 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -88.06 155.78 52.22 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -66.09 -16.77 53.44 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.735 1.623 . . . . 0.0 111.2 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -69.56 -24.76 63.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.214 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -82.99 146.41 28.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.241 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -64.48 125.62 25.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.196 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 81.5 p -74.51 -26.64 60.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.206 -174.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.54 -33.77 88.11 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.8 p -81.21 -32.51 33.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.206 176.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -60.06 -38.6 83.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -72.03 -13.21 61.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.23 -178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.3 p -103.77 13.03 33.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.207 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.442 HG22 HG22 ' A' ' 64' ' ' VAL . 79.7 t -74.43 130.4 36.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 175.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.39 154.98 50.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 46.8 t -101.71 120.77 40.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -174.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -98.09 123.06 41.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.245 171.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 57.8 tp -107.47 122.23 46.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.205 -174.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -107.38 115.82 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.173 172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.8 ttp -105.19 118.26 36.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.22 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 77.0 m -122.99 92.39 49.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -71.02 145.99 51.27 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.733 1.622 . . . . 0.0 111.178 178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -113.9 168.66 9.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.171 -176.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.18 -168.79 3.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.204 169.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.9 p -123.2 -9.05 8.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -96.98 109.04 21.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.162 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -66.3 -17.32 64.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -74.47 -18.23 60.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.21 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 97.8 mtp -81.52 133.87 35.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.228 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 79.9 p -118.87 5.56 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -163.46 152.66 12.37 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -71.68 155.68 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.716 1.611 . . . . 0.0 111.211 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 46.7 p30 -90.54 -178.07 5.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 -177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -56.84 -47.24 80.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.23 -50.69 66.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 99.1 mtp -64.02 -42.2 97.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 82.1 mt -62.15 -39.32 92.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.189 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -66.63 -43.34 84.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.176 176.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -70.29 -28.05 64.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.71 6.58 47.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.173 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 95.3 p -63.56 -25.42 68.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -173.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.95 -26.52 68.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 177.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 84.2 t -96.91 -39.51 9.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.17 176.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.4 mt -65.92 -25.45 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.206 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -87.3 6.02 35.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.7 mt -81.51 154.54 71.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.93 143.36 92.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.685 1.59 . . . . 0.0 111.211 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -79.06 141.66 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.188 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -162.14 113.43 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.482 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -78.49 89.13 4.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 -174.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.9 t -56.32 135.95 53.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.02 16.82 25.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.188 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.12 159.0 20.08 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -120.48 145.72 46.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 111.212 -176.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -115.58 143.64 45.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -118.22 112.28 19.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -174.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -121.89 158.07 29.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 -175.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -114.95 131.12 9.58 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.2 mt -127.97 134.24 65.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.817 0.341 . . . . 0.0 111.212 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -84.24 115.66 61.26 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.257 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -71.69 157.14 56.28 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.746 1.631 . . . . 0.0 111.204 -178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 72.3 p -124.98 163.82 21.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -81.38 126.41 31.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.58 122.05 63.47 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -54.01 126.76 23.07 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.715 1.61 . . . . 0.0 111.216 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -164.16 150.66 11.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 -179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.4 p -79.47 -9.84 59.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.217 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.95 131.58 94.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.223 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -53.38 -34.47 71.22 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.645 1.563 . . . . 0.0 111.227 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -78.35 144.91 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -177.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.453 ' HB ' ' HB ' ' A' ' 128' ' ' VAL . 80.2 m -84.28 129.32 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.05 117.17 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.0 mt -101.95 133.19 47.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.225 178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -140.76 132.3 27.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.178 -176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.5 m -99.64 152.12 20.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.187 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 99.0 m -90.08 119.36 30.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.212 -178.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 64.3 tp -102.09 114.1 65.62 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.219 174.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -52.75 132.71 47.59 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.712 1.608 . . . . 0.0 111.203 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -81.09 76.75 8.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.234 -174.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -96.17 119.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.169 -178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -87.21 76.52 9.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.205 -176.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.25 167.0 25.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -72.05 82.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.216 173.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.23 154.52 39.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -122.93 156.52 34.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.23 173.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 77' ' ' TYR . 31.2 m-90 -126.09 138.23 53.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.23 -178.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -119.99 123.41 43.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.204 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 60' ' ' LEU . 8.5 tt -111.7 119.87 40.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -174.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.453 ' HB3' ' HB3' ' A' ' 143' ' ' ARG . 87.6 tt0 -106.61 124.63 49.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 176.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -81.83 105.51 13.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.21 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.95 137.71 38.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.198 -171.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.4 t -112.55 112.58 41.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' HB ' ' HB2' ' A' ' 139' ' ' SER . 70.3 t -68.69 -42.54 83.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.219 -170.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -67.67 -27.61 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 -175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.5 mt -93.58 -15.03 25.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 61.65 43.77 9.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.207 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -154.51 -167.48 2.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 97.7 p -148.46 168.24 23.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.28 141.06 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.451 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 67.5 t0 -73.3 70.32 1.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -172.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 12.3 p 177.52 144.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 176.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 66.1 p -118.03 143.82 46.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.5 t -106.9 124.91 50.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.208 -178.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -103.56 137.63 41.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.411 ' HB2' ' HB2' ' A' ' 58' ' ' TRP . 32.7 m-85 -127.79 152.79 47.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.232 173.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -141.66 138.48 32.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 74.6 p -130.91 -175.9 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.487 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.4 p -160.08 173.1 5.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 176.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 95.2 Cg_exo -52.03 -28.14 31.36 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.696 1.597 . . . . 0.0 111.188 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -109.4 -31.37 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.8 t -99.15 141.87 31.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.209 -171.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -80.92 156.13 72.5 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.94 123.24 13.3 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.667 1.578 . . . . 0.0 111.175 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.2 154.62 50.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.56 116.83 3.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.4 tp -88.54 -57.95 2.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -166.83 167.7 14.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -130.44 133.08 46.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.202 171.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -129.48 135.51 61.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.6 mt -62.18 140.27 58.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 50.9 t-20 -86.76 79.78 8.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.166 -169.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -86.79 -45.48 10.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 85.9 m -143.03 126.92 9.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -75.96 162.01 35.19 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.711 1.607 . . . . 0.0 111.203 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 99.4 mmm -98.96 11.69 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.196 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -130.01 46.6 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.235 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 110.85 -143.2 17.03 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.2 mt -119.04 146.68 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 111.21 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -104.04 -80.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.209 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 6.1 m 60.43 57.53 2.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -124.9 157.94 34.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -71.77 83.78 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.195 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -76.07 150.64 37.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 -177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 67.6 mt -82.85 142.3 31.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -108.68 164.72 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.223 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.5 t -54.92 -39.93 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 173.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -66.25 -15.65 63.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -87.39 -4.16 59.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.238 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 96.72 18.18 30.86 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.86 98.44 5.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 111.196 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -125.81 124.57 41.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.221 -176.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.5 t -100.62 132.47 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -68.15 112.99 5.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -102.97 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.21 -176.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t -94.69 143.71 26.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 80.4 p -99.11 -4.98 31.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.205 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -97.49 -30.83 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.197 -176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -62.25 -38.59 89.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.92 -13.23 65.29 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -109.28 24.88 12.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 111.219 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.45 136.57 50.57 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 102.39 -20.87 43.17 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -79.81 153.01 29.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.813 0.34 . . . . 0.0 111.181 -174.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.0 tp -101.6 126.1 48.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.21 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -89.45 126.0 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 172.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.453 ' HB ' ' HB ' ' A' ' 43' ' ' THR . 87.1 t -106.51 119.45 56.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 177.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -89.07 155.33 49.62 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -66.59 -18.06 53.6 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.631 1.554 . . . . 0.0 111.206 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -70.24 -24.4 63.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 174.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.95 148.48 31.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 87.9 m -65.35 130.88 44.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 82.2 p -76.22 -28.82 57.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 -174.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.92 -36.94 92.76 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 173.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 74.4 m -66.95 -43.25 83.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.198 173.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -56.46 -38.23 71.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 178.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -21.82 66.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.422 ' HB2' ' HB ' ' A' ' 65' ' ' VAL . 95.5 p -106.95 17.79 22.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -173.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 69.4 t -74.43 129.28 36.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 175.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -136.97 155.07 50.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.213 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 82.3 m -96.82 119.94 36.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.453 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 67.4 ttt180 -92.12 105.45 17.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.217 170.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 55.1 tp -102.47 118.26 36.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 -169.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -104.85 116.02 31.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.228 175.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 66.8 ttp -105.03 119.27 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.234 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . . . . . . . . . 65.5 m -124.99 86.45 56.62 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -57.84 147.81 79.05 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.679 1.586 . . . . 0.0 111.233 172.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 70.3 p-90 -145.07 163.35 34.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.235 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.1 t -150.01 -168.82 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 -179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.6 p -114.79 -11.06 12.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.5 t-20 -84.48 101.94 12.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 86.2 p -67.83 -14.65 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.173 -173.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.89 -18.4 60.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.145 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 99.7 mtp -81.17 135.89 35.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 82.3 p -114.65 1.37 14.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 173.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -166.03 154.62 10.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.208 -177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -69.62 153.15 69.94 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.688 1.592 . . . . 0.0 111.213 176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 44.7 p30 -91.19 -178.79 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -174.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.62 -47.61 79.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.245 -176.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -54.41 -50.0 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.215 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.64 -44.1 97.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.191 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.17 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.22 -44.11 84.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -67.39 -30.72 70.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 74.6 mtm -92.59 5.97 48.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 97.7 p -62.93 -25.97 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 -174.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -64.05 -26.63 68.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 93.5 t -95.71 -39.76 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.175 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 99.1 mt -66.74 -24.65 66.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.21 -174.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -90.26 12.06 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -84.43 155.4 62.82 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.155 173.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.88 141.46 93.09 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.694 1.596 . . . . 0.0 111.193 175.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -78.85 142.36 36.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -162.16 113.61 1.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 174.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.977 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -176.603 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -113.09 107.27 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.228 -176.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 30.2 t -59.57 133.98 56.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.201 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 83.7 mt -109.19 26.38 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.211 177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.26 173.13 28.61 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 81.0 m -134.66 147.56 50.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 111.212 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.18 145.48 43.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.245 176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.55 112.92 19.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -175.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -123.59 160.2 27.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.25 -175.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -113.17 133.38 11.25 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 99.1 mt -122.99 132.24 71.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -81.09 113.8 43.8 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.38 159.6 36.2 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.714 1.61 . . . . 0.0 111.184 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.8 m -108.66 127.78 54.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.183 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -87.86 123.56 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.217 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -117.76 127.77 26.43 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 -176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -74.0 157.65 46.74 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.743 1.629 . . . . 0.0 111.182 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.0 t -153.57 154.93 35.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.216 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.5 p -69.93 -18.62 63.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -72.01 158.65 87.28 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.212 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.36 60.57 5.74 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.76 1.64 . . . . 0.0 111.185 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.3 ptt180 178.7 148.95 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 -171.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.4 p -112.12 158.8 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.223 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.8 125.82 69.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.243 -176.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.6 111.74 24.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -98.23 128.92 44.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.179 -172.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 45.1 t -103.77 92.6 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 174.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 96.1 m -71.58 128.82 37.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 79.9 mt -110.0 139.7 21.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 49' ' ' LEU . 69.3 Cg_exo -58.76 149.0 80.29 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.705 1.603 . . . . 0.0 111.223 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -74.5 81.11 1.95 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 95.6 t -101.8 114.5 41.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -95.2 68.87 3.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.7 t -136.48 149.72 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.21 -175.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -66.41 82.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.24 177.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.72 154.29 37.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.8 t -108.62 142.83 38.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 30.6 m-90 -122.27 131.65 54.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.229 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 91.9 m -117.29 127.72 54.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.203 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 58.6 mt -103.78 131.63 50.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -127.72 126.1 41.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 170.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -86.01 123.77 31.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.186 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 84.1 t -119.6 134.44 63.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 -171.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 140' ' ' VAL . 48.4 t -107.36 113.59 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.22 179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.62 -43.26 86.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.193 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -66.7 -29.76 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.7 mt -97.05 -14.32 21.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.227 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 61.43 46.1 7.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.185 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.5 t -153.75 -168.06 2.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.198 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.7 p -143.98 172.11 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.211 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 HG12 ' A' ' 73' ' ' VAL . 64.6 t -87.16 143.19 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.185 -178.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.444 ' O ' ' HB ' ' A' ' 73' ' ' VAL . 51.4 t0 -78.04 64.63 3.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 -170.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 72' ' ' ASP . 11.6 p 178.25 143.95 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 176.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 70.2 p -118.14 149.28 41.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.9 t -114.23 132.78 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.194 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.02 134.12 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.196 -175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -119.74 152.37 37.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 172.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -139.86 141.98 36.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.183 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.1 t -138.04 -171.24 2.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.183 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.475 ' HB2' ' HD2' ' A' ' 81' ' ' PRO . 14.2 p -168.34 172.17 3.32 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HD2' ' HB2' ' A' ' 80' ' ' SER . 98.5 Cg_exo -51.44 -29.22 30.39 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.72 1.614 . . . . 0.0 111.18 179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -108.99 -31.61 7.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.173 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.9 t -98.18 143.93 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -173.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -87.37 157.57 53.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.88 121.33 9.66 Favored 'Trans proline' 0 C--N 1.328 -0.549 0 C-N-CA 121.665 1.577 . . . . 0.0 111.213 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -134.79 151.85 51.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.212 177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -57.83 116.8 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 68.5 tp -89.19 -58.71 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 41.6 ptt180 -164.66 164.66 21.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -172.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 133.35 48.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 172.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.47 133.38 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.0 136.22 56.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.26 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -78.37 79.73 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -171.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -84.78 -26.34 27.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -124.83 116.98 26.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -75.75 168.74 23.69 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.712 1.608 . . . . 0.0 111.243 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 67.7 mtt -62.41 -32.97 73.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.19 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -102.45 63.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.45 -108.54 2.73 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 172.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 84.5 mt -129.61 156.14 44.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.201 -177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -119.82 156.58 30.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.4 p -116.01 -17.08 11.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.72 160.38 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -87.85 151.93 22.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.238 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 85.4 mt -106.31 171.51 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 68.8 mt -76.36 137.26 39.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.167 -174.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -117.94 174.34 6.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 -175.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.0 t -56.66 -38.18 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -59.7 -21.09 60.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.238 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -92.13 -1.96 56.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.162 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 93.8 17.59 40.75 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -122.79 99.76 6.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.196 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -128.05 120.39 27.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 95.1 t -93.9 131.37 41.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -66.7 116.85 8.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.227 -176.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -106.83 20.46 19.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.248 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.0 t -99.15 146.65 25.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 67.2 p -95.23 -9.42 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -97.89 -31.44 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.244 -174.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -62.51 -40.42 96.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.183 -177.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 100.17 -13.21 60.32 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -99.03 13.92 31.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.819 0.342 . . . . 0.0 111.207 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -55.68 118.07 10.0 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 110.75 -20.43 24.65 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -91.02 157.83 17.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.835 0.35 . . . . 0.0 111.186 -174.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 60.3 tp -102.37 127.38 49.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.207 -170.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -88.15 132.78 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.186 171.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 84.5 t -111.34 121.65 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.202 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -107.17 163.71 16.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 -175.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -54.43 -27.01 47.13 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -62.47 -30.88 71.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.224 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -80.53 142.49 34.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 93.0 m -64.36 134.28 54.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' THR . . . . . . . . . . . . . 99.9 m -65.13 -44.37 88.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -59.83 -45.36 95.92 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 73.7 m -59.75 -42.18 92.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.798 0.332 . . . . 0.0 111.207 177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.07 82.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -70.19 -21.17 63.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.255 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.5 p -93.93 8.84 39.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.245 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.483 HG22 HG22 ' A' ' 64' ' ' VAL . 79.4 t -73.7 133.75 31.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.176 176.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -133.62 153.31 51.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' CYS . . . . . . . . . . . . . 53.5 t -100.49 117.57 34.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -95.76 122.81 38.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 56.9 tp -107.08 123.01 47.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -107.71 115.79 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 172.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 65.6 ttp -105.76 114.8 29.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' CYS . . . . . 0.417 ' HA ' ' HD2' ' A' ' 148' ' ' PRO . 76.8 m -121.75 89.13 47.63 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.185 -176.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 147' ' ' CYS . 59.0 Cg_endo -67.54 151.38 79.8 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.709 1.606 . . . . 0.0 111.196 177.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' TRP . . . . . . . . . . . . . 62.5 p-90 -145.6 162.42 37.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.225 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' THR . . . . . . . . . . . . . 15.3 t -142.99 -174.2 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.226 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 94.8 p -107.13 -11.9 15.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 174.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASN . . . . . . . . . . . . . 63.9 t-20 -86.5 106.7 17.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' SER . . . . . . . . . . . . . 85.3 p -67.57 -15.31 63.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 -174.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.8 -14.78 59.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.221 -178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . . . . . . . . . 98.9 mtp -84.88 134.38 34.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.171 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' THR . . . . . . . . . . . . . 80.9 p -116.47 4.34 13.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ALA . . . . . . . . . . . . . . . -162.44 153.55 14.88 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 -178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -70.02 152.16 67.84 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.735 1.623 . . . . 0.0 111.156 178.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -90.7 -178.12 5.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.73 -47.97 78.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -176.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -54.73 -50.33 68.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . . . . . . . . . 98.9 mtp -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.9 -39.07 93.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.198 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -66.17 -43.39 87.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 176.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -73.07 -22.98 60.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 -178.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' MET . . . . . . . . . . . . . 73.7 mtm -97.28 6.02 49.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.234 176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 87.9 p -64.15 -25.82 68.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -173.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.2 -26.27 68.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.208 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' VAL . . . . . . . . . . . . . 83.1 t -91.94 -39.64 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 98.6 mt -64.53 -26.17 68.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.248 -176.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -86.97 5.69 35.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.249 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 99.1 mt -81.04 154.87 72.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -56.98 141.24 93.86 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.682 1.588 . . . . 0.0 111.194 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -75.78 137.99 40.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -162.03 113.43 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.231 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -177.849 . . . . . . . . 0 0 . 1 stop_ save_