data_6vk2_residue ############################ # Computer software used # ############################ 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 6vk2 _Structure_validation_residue.Date_analyzed 2020-07-24 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 ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.84 -117.97 12.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -100.62 38.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 111.181 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.8 tt -51.54 139.43 28.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -68.98 147.51 68.07 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.745 1.63 . . . . 0.0 111.164 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.29 -34.72 64.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.235 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.79 -62.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.1 -38.54 72.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.09 -41.41 98.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -173.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -73.86 -38.51 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.59 -46.68 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.219 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.3 mtm -60.33 -44.41 95.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 92.9 mt -61.52 -36.73 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.9 p -74.95 -5.6 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.54 -25.6 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.34 -40.23 77.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.191 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 59.97 25.94 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.29 96.25 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.37 131.61 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 -22.41 39.65 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.62 161.84 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 111.192 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -152.55 163.4 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.9 tt -127.97 122.37 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 169.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -99.96 131.0 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 32.4 ptt-85 -145.28 153.27 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -173.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -93.51 143.23 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -83.54 142.23 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -83.06 -28.14 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -78.04 -22.6 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.74 76.22 35.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -54.43 138.86 74.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.695 1.596 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.98 -20.62 50.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.69 156.48 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.3 160.2 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -113.69 153.04 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 164.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -123.21 107.74 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 175.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -100.84 109.23 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.3 p -103.55 125.57 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -167.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 26.3 tptp -81.95 89.78 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -104.01 128.87 51.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.17 -126.01 41.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -109.21 20.21 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.241 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.28 173.12 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.44 133.09 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -108.99 144.39 37.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.544 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.4 t-80 -103.77 119.01 38.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -103.97 150.36 24.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.3 120.06 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.43 108.63 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.27 136.99 52.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -160.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -84.36 133.36 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 28.5 p30 -95.99 -176.58 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.43 -2.29 83.99 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.46 -10.5 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.75 8.21 76.96 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -99.98 170.26 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -117.3 146.45 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.23 166.52 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.584 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -138.31 -56.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.3 m95 -93.86 176.5 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.57 -22.6 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 163.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -80.08 123.93 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.67 129.48 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -173.065 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.88 -176.32 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -62.46 -24.51 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -154.1 159.83 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -49.92 -41.98 47.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 169.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.58 -37.95 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.29 -43.07 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -75.18 -30.13 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -169.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.13 -27.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.94 -41.95 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -55.33 -48.38 74.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -87.67 12.13 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -85.65 -39.46 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 163.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.8 p -85.52 -24.56 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -126.51 138.06 53.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 t -58.21 147.7 29.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.6 -15.85 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -152.97 152.73 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.37 -12.74 53.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.65 -33.91 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.232 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -111.92 97.41 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -72.62 72.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 45' ' ' VAL . 60.3 mt -115.23 133.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.95 158.18 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.32 104.25 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 173.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -112.67 146.65 38.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.62 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.764 0.316 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.91 -127.8 41.85 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -83.83 60.8 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.248 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.7 tt -69.97 139.84 88.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 167.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 95.1 Cg_endo -67.23 146.25 75.25 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.719 1.612 . . . . 0.0 111.223 171.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -55.85 -35.17 66.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.31 -64.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.212 171.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -71.08 -38.45 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.218 -168.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.64 -40.38 96.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -72.73 -39.83 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -56.73 -47.62 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.7 mtm -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.95 -36.18 83.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.2 p -77.66 -12.39 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.91 -26.26 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 58.06 36.89 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -119.98 95.4 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.09 136.16 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 100.98 -23.11 36.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -173.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 157.39 35.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 111.205 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -147.4 162.92 38.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.226 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -129.23 113.95 15.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 168.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.11 133.21 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.8 ptt-85 -147.1 160.33 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.42 134.32 33.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -67.71 141.58 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.01 -32.27 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -79.76 -21.8 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.8 75.54 49.07 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.24 139.94 72.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.686 1.591 . . . . 0.0 111.165 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.23 -19.18 55.5 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -105.92 158.62 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 111.181 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -110.2 156.67 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -116.34 154.57 29.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 159.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.37 110.48 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.6 m -99.81 110.22 22.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.558 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -104.71 121.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -85.16 96.43 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 172.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -128.74 122.0 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.3 39.36 6.86 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 58.98 22.89 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -154.64 169.22 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 63.0 t -115.23 128.85 72.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -171.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -102.87 150.03 23.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -110.74 127.04 55.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -111.32 152.21 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -91.74 127.77 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.98 112.03 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.05 159.67 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -163.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -92.81 134.62 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -90.4 -170.01 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -16.3 64.38 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.04 -10.51 54.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.29 81.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -168.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -97.38 147.75 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 111.238 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -83.82 139.97 32.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.238 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -147.14 168.81 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.268 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.2 tt -134.19 -61.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.402 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.5 m95 -88.4 174.05 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.14 -23.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 164.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.88 130.56 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 166.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.0 tptm -133.2 134.58 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -172.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' H ' ' A' ' 72' ' ' ASN . 66.3 m-85 -129.2 -169.0 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 171.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.423 ' H ' ' HB3' ' A' ' 71' ' ' PHE . 61.7 m-80 -65.89 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -169.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -154.98 161.54 41.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -48.28 67.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.74 -35.26 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.204 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.21 -45.59 66.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.8 -30.14 61.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -170.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.71 -24.74 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -40.14 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 170.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -55.7 -47.81 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 167.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -86.34 14.8 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -89.89 -44.88 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 164.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -76.64 -21.47 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -134.37 142.8 47.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -49.83 156.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.5 m -73.42 -19.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -162.24 156.52 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.58 -17.27 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -113.14 -40.84 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -93.73 95.75 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.63 75.45 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -165.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.558 ' CG2' HG21 ' A' ' 45' ' ' VAL . 8.6 mm -120.01 140.03 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.78 149.86 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 162.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.5 mt -110.04 105.65 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 172.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 27' ' ' GLY . 79.5 mtt180 -124.0 161.76 24.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -173.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.232 177.842 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 -129.64 43.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.57 60.87 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.7 tt -69.41 139.37 89.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 168.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -66.8 145.5 75.2 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.7 1.6 . . . . 0.0 111.149 170.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.81 -35.21 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.37 -65.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -71.14 -38.76 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.36 -39.99 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.232 -174.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -71.67 -39.37 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.5 -37.72 68.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.186 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.41 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.6 mtt -64.78 -54.21 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.48 -34.4 78.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.6 p -75.46 -9.3 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -98.78 -24.46 15.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -68.02 -35.65 78.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 59.78 29.9 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.45 92.64 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.402 ' OD1' ' NZ ' ' A' ' 46' ' ' LYS . 90.4 m-20 -59.29 135.16 57.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 105.17 -26.5 21.81 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -172.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 158.41 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.155 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -148.49 161.36 41.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -128.55 113.08 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 169.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.91 132.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -145.81 164.44 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -173.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -83.41 139.41 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -82.78 113.31 20.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.05 -32.92 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -78.95 -9.72 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.55 72.45 9.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -55.27 140.6 81.68 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.734 1.623 . . . . 0.0 111.23 -173.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.53 -36.64 4.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -88.67 159.37 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.16 154.8 20.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.15 109.91 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -98.58 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.558 HG21 ' CG2' ' A' ' 92' ' ' ILE . 13.0 p -103.03 124.43 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -172.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.1 tptp -88.71 94.7 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -129.67 130.67 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.79 38.22 17.04 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 60.02 27.28 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -156.79 172.42 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.269 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 80.1 t -118.28 129.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -106.19 149.97 26.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -107.36 126.9 53.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.41 147.65 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.01 121.58 32.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -104.88 106.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.72 140.63 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -161.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -78.11 137.78 38.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -91.07 -170.4 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 172.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.17 -13.95 65.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.98 -11.03 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 16.67 71.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -168.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.72 146.62 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.187 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -167.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -141.67 166.02 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 171.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.9 tt -135.06 -63.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.54 -97.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -169.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.0 t -139.19 -56.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.15 141.1 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.6 tptm -124.23 128.33 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -117.26 -178.45 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.8 -22.45 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -151.13 149.46 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.1 tp -44.43 -40.85 5.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 168.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.51 -40.75 9.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.63 -29.28 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.246 -175.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.86 -25.56 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.51 -42.12 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -53.13 -46.63 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -88.88 18.71 4.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -93.99 -47.83 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 164.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.0 p -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.7 m -132.88 145.91 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 p -56.65 163.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.85 -14.44 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -167.4 158.98 12.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.42 -23.29 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.68 -41.41 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.232 -173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -91.72 95.41 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -76.73 76.51 3.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.558 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -120.07 140.0 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.6 148.59 40.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 163.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.57 105.83 15.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.206 173.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' GLY . 99.6 mtt180 -123.23 161.33 24.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.341 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.73 -126.84 8.46 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 84.2 tttt -83.13 52.17 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 12.3 tt -58.06 137.29 84.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 163.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 147.39 78.11 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.654 1.569 . . . . 0.0 111.136 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.8 -37.27 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.23 -65.99 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -71.13 -37.68 72.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -169.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.2 -42.9 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.266 -174.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -71.99 -37.74 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.17 -45.84 79.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 11' ' ' ILE . 54.0 mtm -65.01 -38.24 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.37 -36.14 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.7 p -74.98 -19.83 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.71 -30.45 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 166.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -90.44 84.27 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.58 67.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 -170.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -130.04 95.79 4.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.69 133.05 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 100.43 -24.86 30.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.72 161.61 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -150.36 159.1 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.4 tt -124.25 110.9 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 169.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -90.34 132.05 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 35.6 ptt-85 -146.23 164.94 30.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -170.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -71.29 134.14 46.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -57.21 140.53 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.194 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.68 -20.04 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.3 p -104.64 -22.8 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.76 81.64 14.63 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.183 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.41 138.67 56.36 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.737 1.625 . . . . 0.0 111.217 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.19 -22.92 31.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.72 164.21 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.57 165.36 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 m -123.62 152.93 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 166.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.94 105.93 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -100.45 110.98 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.515 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.5 p -104.45 123.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 -166.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.7 tptm -82.15 90.61 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -103.95 127.6 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.13 -126.37 42.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -170.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.76 -1.55 32.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -108.82 165.49 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.9 t -121.59 132.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.92 147.69 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -104.19 128.47 51.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.442 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.3 m-30 -111.56 146.42 37.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -87.57 121.41 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -110.17 112.09 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.03 143.23 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 -159.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -78.91 131.0 36.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -93.92 -172.93 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.81 -4.03 81.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -172.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.09 -9.29 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.316 . . . . 0.0 111.193 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 13.22 76.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -106.11 157.6 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -99.77 139.56 35.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -139.99 171.98 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 174.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.7 tt -135.81 -62.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.482 ' CD2' HD22 ' A' ' 66' ' ' LEU . 80.5 m95 -91.41 173.79 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -176.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.4 -23.39 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 162.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.75 128.72 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 165.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -133.59 132.82 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 -173.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.65 -170.17 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -63.85 -24.77 67.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -170.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.8 p -156.36 162.17 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.04 -48.62 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.94 -31.18 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.77 -45.0 38.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -75.05 -30.24 60.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.235 -169.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.66 -23.72 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.05 -40.96 64.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.9 -47.99 76.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.261 167.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -85.53 11.9 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -88.89 -41.34 12.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 162.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -69.71 -39.54 76.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.5 m -119.76 136.52 54.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 t -57.45 147.04 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.431 ' HB ' ' CZ2' ' A' ' 67' ' ' TRP . 34.0 m -77.08 -14.01 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -137.5 148.49 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.21 -3.22 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -109.71 -30.69 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.252 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -123.83 133.23 53.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.17 73.03 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.515 ' CG2' HG21 ' A' ' 45' ' ' VAL . 28.1 mt -109.02 115.49 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 32.9 m-85 -117.23 118.09 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 mt -71.0 78.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -171.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -87.1 158.26 19.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.215 176.053 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.849 0.357 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.33 -126.08 35.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 84.6 tttt -83.47 54.83 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.293 . . . . 0.0 111.157 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.425 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.4 tt -70.01 139.79 88.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 172.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 92.4 Cg_endo -67.46 148.25 78.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.72 1.613 . . . . 0.0 111.181 170.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -56.59 -35.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -64.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.217 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -168.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.16 -39.51 92.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -71.85 -40.4 69.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.239 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.97 -42.05 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.425 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.7 mtt -58.44 -47.32 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.0 mt -74.53 -37.43 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -66.55 -23.34 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -87.64 -32.49 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.53 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 56.33 40.22 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -115.66 90.68 3.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -53.9 127.32 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.78 -25.54 25.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.77 148.62 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -143.66 157.22 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.0 tt -127.83 114.5 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.2 129.19 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HB2' HG22 ' A' ' 11' ' ' ILE . 36.4 ptt85 -141.75 166.29 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -173.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -88.14 135.52 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -61.1 140.45 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -83.57 -13.01 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.9 p -109.67 -22.31 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.94 75.78 47.62 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.92 140.27 58.79 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.218 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.47 -21.98 40.61 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -104.52 156.46 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' A' ' 41' ' ' PHE . 2.5 m-30 -105.24 155.37 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -119.03 151.44 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.245 160.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 3.5 tt -122.41 112.09 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 175.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.2 p -107.9 127.69 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -172.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 15.4 tptp -89.78 88.97 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -105.35 132.17 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.22 -123.75 31.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -168.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -113.9 11.27 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -135.81 129.01 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.94 130.75 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -108.0 146.21 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.02 124.2 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.263 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.445 ' HB3' HD21 ' A' ' 66' ' ' LEU . 12.8 m-30 -106.38 137.85 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 175.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -72.49 126.38 29.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.84 110.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 171.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 mt -109.94 141.97 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 -163.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -79.87 134.37 36.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 41.1 p30 -94.29 -174.75 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.217 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.81 -1.04 86.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.46 43.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 111.145 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.9 10.53 72.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -167.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -108.27 176.2 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 111.22 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -125.18 144.52 50.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -138.25 169.22 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.43 -67.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CD2' HD22 ' A' ' 66' ' ' LEU . 93.6 m95 -91.83 -91.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -172.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.85 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.261 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.43 138.65 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 167.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 12.1 ttpt -139.81 140.51 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 175.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.29 -166.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.71 -20.12 54.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -174.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.9 t -154.39 149.4 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp -44.0 -38.11 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 165.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -74.33 -3.86 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.219 -172.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -103.85 -38.19 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -72.12 -26.99 62.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.82 -25.53 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 172.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.77 -42.09 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 171.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -53.54 -47.05 70.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -90.16 20.35 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -93.95 -48.39 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 164.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.5 p -76.07 -21.38 56.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.233 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -129.96 142.92 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 p -60.31 162.9 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.44 -14.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -157.57 154.54 28.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -174.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.51 -23.25 58.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -112.41 -40.98 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.269 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -96.16 69.81 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.01 65.9 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -159.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.423 ' CG2' HG21 ' A' ' 45' ' ' VAL . 63.2 mt -94.51 140.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -113.93 149.39 35.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.77 90.59 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -103.4 165.2 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -171.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 171.101 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.772 0.32 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -39.37 -56.84 2.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.908 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 46.7 tptt -111.03 47.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.212 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.431 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 tt -74.88 139.9 73.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 164.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 90.3 Cg_endo -68.89 149.17 72.05 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.75 1.633 . . . . 0.0 111.151 169.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.9 -35.38 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.223 171.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.51 -63.17 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -71.34 -38.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -168.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.99 95.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -70.43 -38.5 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.82 -46.18 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.42 ' CE ' HD11 ' A' ' 11' ' ' ILE . 58.5 mtm -63.83 -38.73 92.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLN . 72.8 mt -66.63 -31.22 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -83.05 -24.9 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.84 -38.68 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 164.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.7 tp-100 -70.4 145.62 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 164.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.88 -12.82 10.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.82 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -51.57 139.53 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.1 -35.7 4.88 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 153.57 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -146.67 161.63 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -172.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.59 115.73 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.9 mt -92.23 132.38 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 25.1 ptt-85 -147.44 163.83 35.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.3 137.42 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.243 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -58.5 141.34 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.64 -1.47 57.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -116.93 -24.87 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.4 79.46 25.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.242 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.21 140.5 51.38 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.625 1.55 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.99 -34.7 5.41 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -96.96 156.39 16.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.181 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -110.92 159.94 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -118.6 152.73 35.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 165.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -121.72 111.19 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -98.9 110.4 23.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.8 p -104.88 123.82 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -171.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 4.4 tptm -86.13 93.55 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.272 175.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -129.99 129.65 44.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 36.33 20.2 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 61.02 20.72 11.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -148.87 173.99 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.5 t -118.8 124.53 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.264 -174.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -96.37 147.96 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.522 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -109.98 118.49 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -105.51 150.75 25.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -90.6 123.41 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.92 106.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.98 146.5 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 -164.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -77.93 140.75 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 173.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.8 p30 -92.91 -170.67 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 169.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.74 68.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -11.28 46.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 111.197 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.24 16.72 71.01 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -168.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -104.14 146.65 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -91.96 140.7 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -168.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -144.01 167.23 22.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -134.18 -63.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -91.05 -97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.29 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.87 -56.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.8 140.61 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 170.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.7 tptm -124.14 128.09 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -116.55 -172.26 2.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.34 -26.18 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.6 p -158.22 162.8 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -47.6 -41.6 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.228 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.22 -23.06 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -87.13 -42.96 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -74.08 -29.43 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -172.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.36 -25.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -74.33 -40.25 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.0 -47.33 74.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 167.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -86.72 15.32 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -90.83 -48.65 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 164.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.9 p -75.82 -20.39 58.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.0 m -132.62 145.66 51.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 p -57.15 163.65 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.34 -13.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -167.02 159.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.255 -171.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.93 -20.58 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 171.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -113.32 -40.12 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -92.84 94.81 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -77.71 75.68 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 -165.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.542 ' CG2' HG21 ' A' ' 45' ' ' VAL . 6.7 mm -116.92 142.09 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 170.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -119.34 148.73 42.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 163.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -107.82 95.68 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.246 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -114.23 170.51 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -171.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 -178.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.89 -122.18 29.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -91.83 54.29 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 111.231 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.405 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 10.3 tt -65.62 139.78 97.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.217 173.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -67.95 147.44 74.21 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.739 1.626 . . . . 0.0 111.197 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -56.6 -34.64 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.63 -63.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -71.01 -39.36 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.267 -170.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -63.65 -31.84 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.245 -173.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -76.19 -47.17 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.91 -40.84 70.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.4 mtm -64.85 -27.53 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.0 mt -86.61 -34.05 19.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -73.28 -16.85 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -91.92 -28.43 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -65.55 -36.84 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 60.3 36.29 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -123.47 90.83 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 1.7 m-20 -61.38 132.23 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.53 -31.07 8.14 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 150.04 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -146.13 165.98 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.254 -173.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -133.75 128.3 34.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -104.94 129.99 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.1 ptt-85 -144.24 156.47 44.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -173.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -90.82 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -76.21 142.07 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.08 -17.74 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -91.22 -22.43 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.3 76.71 37.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.41 138.36 65.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.713 1.609 . . . . 0.0 111.256 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.38 -20.41 50.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -107.97 156.01 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -121.0 156.59 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -113.65 152.13 30.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 164.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -121.07 111.58 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 m -99.78 109.69 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.259 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.6 p -109.56 124.11 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -173.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.7 tmtt? -91.83 90.68 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -127.15 126.28 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.71 34.26 7.02 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 t30 59.12 27.05 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.149 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -159.02 169.93 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.165 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 96.5 t -113.58 124.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -94.55 148.02 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.559 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.1 t-80 -108.02 121.06 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.6 m-30 -105.55 148.5 27.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.209 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -88.65 126.92 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -108.54 117.94 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.4 144.49 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -159.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -83.15 138.77 33.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 45.8 p30 -91.7 -168.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.12 -16.73 64.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.95 -10.29 53.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.188 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.62 71.87 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -166.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -103.51 150.24 24.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -93.76 138.17 32.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -163.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.65 170.96 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.5 tt -136.54 -62.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -89.06 -103.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -166.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.56 -11.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.61 134.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -105.7 133.96 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -122.37 -173.98 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.8 -24.62 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -156.3 161.83 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.2 tp -53.05 -47.05 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.97 -33.11 70.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.254 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -73.57 -44.88 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -74.54 -28.4 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.35 -25.25 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.47 -39.75 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 170.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.04 -47.33 78.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.241 167.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.431 ' ND1' ' O ' ' A' ' 77' ' ' LEU . 66.8 m80 -82.1 9.6 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -90.18 -48.15 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.3 p -77.08 -21.52 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.95 141.6 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.166 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.3 p -60.01 157.93 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.96 -13.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -167.92 175.07 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -171.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -99.26 -13.43 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 170.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.51 -37.72 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.62 84.41 5.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -75.65 77.15 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -165.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.533 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -115.29 142.73 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 171.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -120.59 148.37 43.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 161.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.87 96.25 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -112.63 157.28 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 178.065 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.433 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 20.2 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.06 -131.04 41.25 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -80.21 54.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 111.223 176.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 13.2 tt -67.1 138.47 94.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -69.17 152.28 72.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.684 1.589 . . . . 0.0 111.191 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.89 -36.79 68.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 171.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.8 -63.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -70.5 -38.71 74.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -170.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.3 -38.94 91.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.243 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.64 -40.66 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.93 -46.99 78.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.0 mtm -63.31 -39.6 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 91.1 mt -65.86 -35.39 80.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.0 p -76.8 -11.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.26 -27.09 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -73.27 -43.07 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 53.78 29.95 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.21 96.11 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 28.3 t0 -58.56 122.34 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 -177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.99 -27.82 12.23 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 159.65 21.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 111.245 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -148.09 157.55 43.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.7 tt -124.28 113.49 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 169.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -90.68 130.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.2 ptt85 -144.87 166.84 24.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -88.96 136.22 33.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -66.31 142.22 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -82.3 -32.48 29.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.4 p -85.23 -22.78 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.25 76.23 44.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.28 140.68 61.75 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.726 1.618 . . . . 0.0 111.157 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.12 -25.07 29.69 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.41 155.7 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -110.93 154.54 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -114.92 156.35 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 167.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 4.6 tt -125.56 108.32 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -100.36 108.65 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -104.99 125.92 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -169.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 49' ' ' ASN . 11.0 tppt? -85.98 92.98 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.184 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -102.9 128.42 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 61.2 -118.61 15.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -163.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.7 m-80 -114.61 2.98 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -110.69 158.75 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 60.7 t -110.42 132.67 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -109.23 147.2 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -105.39 120.86 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 66' ' ' LEU . 10.2 m-30 -103.22 165.09 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 172.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -116.78 116.33 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.93 98.14 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -102.84 144.65 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -160.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -88.8 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.21 171.92 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.28 -16.65 54.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.84 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.221 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.73 -3.79 86.01 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -77.49 144.25 37.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.09 140.62 37.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -146.9 166.8 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.197 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -128.18 -62.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -96.59 -91.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -135.43 -61.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.14 137.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -126.62 127.42 45.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -107.5 -176.09 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.04 -24.33 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 t -152.06 150.94 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.2 tp -47.15 -35.75 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 168.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.64 -9.38 58.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -173.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -98.22 -39.84 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.1 pp -72.22 -27.48 62.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -177.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -72.82 -26.04 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -74.57 -41.51 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 168.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.01 16.39 8.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -91.16 -45.5 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 163.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.1 m -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.9 m -119.83 136.13 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.34 149.16 13.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.7 -18.31 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.0 t -147.5 149.59 32.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.19 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.73 -19.51 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -106.22 -32.85 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.08 97.29 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.07 74.98 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -169.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.489 ' CG2' HG21 ' A' ' 45' ' ' VAL . 54.6 mt -114.27 122.88 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -116.58 116.3 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.71 80.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -170.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -83.79 152.69 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 173.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.96 27.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.65 56.13 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 111.167 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.424 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.0 tt -68.64 139.72 91.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 173.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.9 Cg_endo -68.21 147.11 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.626 1.551 . . . . 0.0 111.227 170.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.08 -34.87 66.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 171.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.16 0.7 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -70.8 -38.83 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.214 -169.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.253 -174.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -73.4 -39.01 65.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.4 -46.03 87.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 58.1 mtm -61.78 -41.36 97.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.78 -42.84 99.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -66.17 -20.99 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -82.05 -31.77 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 168.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.572 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 5.3 tp-100 -79.53 108.26 12.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 176.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.04 1.98 41.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -170.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -84.68 100.1 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.49 145.87 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.45 -22.71 39.38 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 149.61 47.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.172 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -145.92 164.24 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -173.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.0 tt -131.52 118.84 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.1 128.77 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 30.9 ptt-85 -142.24 156.22 45.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.269 -172.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -89.16 136.97 32.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -76.41 142.82 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.05 -30.77 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.4 p -78.16 -22.82 48.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.46 77.35 40.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -54.31 138.42 72.73 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.693 1.595 . . . . 0.0 111.2 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -19.83 52.56 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -105.93 158.13 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.154 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -123.01 157.33 32.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.3 m -111.75 155.25 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 163.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.0 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 m -97.06 113.29 24.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.564 HG21 ' CG2' ' A' ' 92' ' ' ILE . 14.9 p -111.72 126.93 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 -172.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 54.5 tttt -93.08 99.98 12.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 171.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -129.32 113.36 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 167.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.89 32.07 5.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 59.49 27.8 17.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -158.28 158.7 34.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.2 t -109.05 130.55 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 -167.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -106.17 144.47 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.495 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.4 t-80 -104.34 119.16 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -105.14 164.85 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -114.41 118.99 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.21 108.25 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.86 150.66 38.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 -163.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -78.6 138.6 38.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.437 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 43.9 p30 -96.05 -172.85 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 170.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.52 -3.77 78.92 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 -10.0 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 111.236 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.28 72.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -168.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -106.19 153.57 21.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.226 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -96.46 140.45 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -142.88 167.51 21.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.8 tt -135.19 -56.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -94.82 177.03 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -64.31 -24.84 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 164.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.16 130.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 164.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.437 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.3 tptm -134.4 134.46 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -125.1 -176.61 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 168.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.89 -23.35 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.6 t -152.55 149.53 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.184 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.0 tp -44.8 -40.23 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.244 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.54 -23.5 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.2 -41.66 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -73.86 -30.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -172.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.38 -25.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.5 -41.68 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 173.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -55.82 -48.48 75.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 168.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -84.97 11.96 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -89.54 -44.66 9.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.252 164.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -81.03 -22.15 39.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.9 m -130.76 140.16 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 t -59.03 146.67 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.75 -19.69 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 t -153.96 154.57 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -169.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.31 -24.79 62.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -109.47 -37.67 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.88 90.66 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.87 81.34 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.564 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.2 mm -109.87 129.99 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -121.57 112.36 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.08 78.73 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.259 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -91.42 159.01 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 177.819 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.0 m-85 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' PHE . . . -40.26 -57.97 2.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -108.58 32.82 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.191 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 13.5 tt -64.69 137.26 97.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.26 149.41 45.47 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 168.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -59.28 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.13 -37.09 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -100.48 -43.37 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.24 -35.55 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.42 -48.24 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.229 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 mtm -59.97 -45.12 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 98.6 mt -64.16 -37.91 89.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -74.75 -11.15 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.45 -30.19 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.27 -39.7 86.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 60.01 22.71 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -98.51 86.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.87 129.33 37.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.94 -29.64 10.49 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.54 159.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 111.214 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -147.89 158.19 43.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -126.6 113.84 17.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 170.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -92.78 128.54 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.4 ptt85 -144.08 150.0 37.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -171.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.68 138.56 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -70.87 143.77 50.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.49 -19.99 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.5 p -95.67 -23.73 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.84 79.87 26.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.53 137.4 57.8 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.711 1.607 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.46 46.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.75 157.99 16.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.195 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -113.17 155.16 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -107.05 152.58 23.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 160.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -118.45 107.93 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.206 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -99.54 105.18 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.627 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.2 p -100.17 124.69 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 -165.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.8 tptp -77.32 87.27 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -117.19 128.15 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.66 -133.85 47.26 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -170.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.94 21.99 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.33 174.59 10.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.256 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 46.0 t -125.12 118.31 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -94.57 152.14 18.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.527 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.7 t-80 -109.53 116.54 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.418 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.5 m-30 -103.01 147.85 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 170.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -94.67 120.06 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.33 105.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.22 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.22 146.31 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 -160.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -78.5 139.13 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 172.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -92.75 -170.2 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 171.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.06 -11.63 67.25 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -10.37 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.57 16.9 72.23 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.25 147.27 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 111.208 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -91.34 139.27 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -167.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -143.64 171.22 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.36 -58.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE2' HD22 ' A' ' 66' ' ' LEU . 80.9 m95 -97.38 170.69 8.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.08 -44.09 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 163.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.74 127.17 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 163.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -143.25 145.19 32.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HB3' ' H ' ' A' ' 72' ' ' ASN . 62.3 m-85 -123.24 -168.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.411 ' H ' ' HB3' ' A' ' 71' ' ' PHE . 67.0 m-80 -63.85 -24.56 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -167.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.3 p -153.43 160.35 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.54 -44.18 65.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.194 170.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.73 -35.98 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.9 -43.89 56.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -73.37 -29.92 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 -170.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.61 -26.54 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.44 -41.42 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 170.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -56.53 -49.21 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 168.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.47 11.73 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -89.65 -41.48 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 163.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -66.92 -38.41 86.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -128.57 138.95 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -57.2 148.33 22.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.9 m -69.46 -21.91 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -168.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.05 -5.0 58.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -114.65 -30.69 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -110.36 144.48 39.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -98.89 79.14 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.627 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.6 mt -119.05 110.69 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 -173.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -113.17 109.98 19.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.216 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.35 79.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -169.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.56 146.34 34.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 95.7 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.877 0.37 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.2 -128.74 48.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -82.03 62.71 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.401 ' HB ' ' CB ' ' A' ' 8' ' ' PHE . 9.9 tt -77.1 136.98 65.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.01 147.67 55.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.682 1.588 . . . . 0.0 111.17 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -58.38 -30.14 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -99.52 -42.48 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.02 -40.56 96.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.9 -35.09 57.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.21 -46.6 88.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 172.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -63.57 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.49 -43.21 93.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.2 p -65.2 -18.34 65.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.57 -10.23 38.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -77.97 -26.06 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 53.37 38.88 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -139.95 101.91 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.247 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.46 140.13 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -29.67 11.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.73 146.66 45.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.36 164.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -172.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.8 tt -136.2 124.17 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.14 130.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OG ' ' A' ' 44' ' ' SER . 33.7 ptt-85 -144.79 157.86 44.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -172.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -88.25 135.0 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -65.92 141.46 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.34 -9.35 56.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 172.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -105.22 -23.44 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.35 76.71 55.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.7 138.93 68.07 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.684 1.589 . . . . 0.0 111.182 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.82 -21.82 44.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.9 155.87 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 111.214 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -115.48 153.06 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.9 m -109.06 154.34 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 161.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -121.99 110.74 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.637 ' OG ' ' NH1' ' A' ' 32' ' ' ARG . 62.9 m -94.8 116.48 28.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.9 p -116.95 130.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -99.0 102.05 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -128.27 125.68 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.236 167.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.54 23.07 44.58 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -172.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 62.56 17.47 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.02 134.29 38.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 64.8 t -85.49 123.3 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 -170.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -94.58 161.03 14.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.158 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -118.14 126.04 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -108.09 165.93 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -115.81 117.74 31.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.216 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.04 102.45 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 mt -110.68 148.39 32.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -162.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.53 138.04 36.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 166.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -89.5 -170.45 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -13.76 63.28 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.89 -14.52 41.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.39 9.83 78.53 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -166.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -89.27 138.89 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -88.51 136.3 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -146.23 168.88 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 173.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.96 -60.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -93.8 -96.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -171.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.0 -15.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -177.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.74 135.99 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.208 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -112.57 134.64 53.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -115.94 -171.56 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.68 -26.92 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -156.98 154.49 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.258 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -46.51 -36.7 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 166.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.94 -7.2 51.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -98.77 -40.02 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -72.37 -28.13 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.256 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.97 -25.97 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.38 -42.82 53.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -53.5 -46.21 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -91.34 22.46 3.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.23 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -96.38 -50.77 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 164.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -73.63 -20.74 60.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.0 m -130.78 144.45 51.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -57.6 162.41 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.176 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.31 -16.19 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.247 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -164.7 156.78 15.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.09 -20.88 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 172.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -112.84 -40.93 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.11 93.69 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.214 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -77.73 75.96 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -164.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.9 mm -114.8 142.89 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 172.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.08 151.11 40.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 161.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -108.13 94.04 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -107.88 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.356 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.4 -128.94 45.57 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -84.3 59.07 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.176 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.412 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.6 tt -68.23 139.68 92.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 168.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -67.51 146.88 75.72 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.146 171.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -55.87 -35.26 66.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.32 -64.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 171.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.92 -38.85 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -168.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.24 -43.92 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -175.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -69.97 -38.13 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.99 -45.77 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.9 mtm -65.65 -37.28 86.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' GLN . 72.7 mt -66.57 -29.12 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.04 -20.49 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.02 -39.31 79.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.221 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.4 tp-100 -69.21 145.59 53.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 162.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.73 -17.11 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -58.91 124.91 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -83.43 139.98 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 173.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.91 -20.66 38.08 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -62.46 156.43 22.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -149.7 158.23 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -124.6 112.62 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 170.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -90.95 131.03 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.9 ptt-85 -144.17 159.58 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -172.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.73 136.3 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -70.82 137.39 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.232 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -82.05 -32.22 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -71.64 -34.78 70.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.34 79.7 73.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.56 140.12 65.51 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.745 1.63 . . . . 0.0 111.241 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.02 -35.11 5.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -91.2 160.83 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.236 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -114.13 154.72 27.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.232 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -109.43 155.03 21.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 157.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -122.56 108.47 13.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.234 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 m -99.8 109.07 21.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.222 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -103.89 124.46 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -169.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ALA . 3.0 tptm -88.53 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -129.75 121.33 26.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.43 35.56 6.53 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.13 27.67 15.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.143 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -156.91 171.45 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 39.8 t -118.09 132.33 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -109.32 143.84 38.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.205 170.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.501 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.3 t-80 -102.94 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.18 -176.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.4 m-30 -107.83 164.64 12.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 175.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -113.8 117.86 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.7 t -108.46 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -114.91 144.99 42.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -163.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -77.37 145.16 37.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 50.1 p30 -93.85 -170.06 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 165.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.21 -9.53 72.43 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.93 46.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.79 69.38 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.91 147.39 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -97.57 141.16 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -163.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -144.19 171.65 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.229 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.523 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.76 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD2' HD22 ' A' ' 66' ' ' LEU . 98.9 m95 -89.96 -97.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -166.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.3 -58.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.45 137.64 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 161.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -128.23 144.36 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -120.08 -174.68 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -62.23 -23.72 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 -167.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -153.99 161.84 41.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.217 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.7 tp -52.85 -47.78 67.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.222 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.52 -28.2 68.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -78.72 -43.27 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.9 pp -74.79 -29.78 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -171.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.12 -23.74 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.34 -40.85 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 172.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 167.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -84.3 12.05 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.191 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -90.39 -47.71 7.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 164.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 m -67.68 -38.95 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -119.93 137.19 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -55.95 148.42 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.225 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 m -69.93 -19.75 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 t -154.74 155.33 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.28 -12.88 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.33 -32.93 5.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -107.83 93.56 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -75.53 80.27 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -170.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.585 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.3 mm -109.83 129.96 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.21 110.57 15.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.83 77.17 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -89.2 150.58 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 176.211 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.84 0.352 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.37 -122.76 25.47 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -78.9 67.36 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 111.175 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tt -77.44 136.18 64.63 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -71.32 146.88 51.86 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.592 . . . . 0.0 111.215 169.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -57.39 -34.0 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -35.62 -53.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 170.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -85.39 -41.15 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -61.02 -45.37 95.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.08 -39.17 89.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.57 -47.99 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 mtm -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 93.8 mt -73.54 -33.96 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 -18.79 58.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.79 -37.2 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 166.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 93.4 mm-40 -67.99 138.16 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 165.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -116.69 39.73 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 36.4 p-80 -136.13 115.89 13.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.227 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.49 136.22 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.46 -25.08 8.81 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.22 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -148.48 159.01 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.0 tt -133.8 128.2 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -103.62 127.43 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -143.05 163.59 32.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -77.07 137.51 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.3 t -85.33 118.29 24.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.28 -32.6 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.2 p -78.43 -10.0 59.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.4 71.97 6.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -53.98 139.6 70.08 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.675 1.583 . . . . 0.0 111.245 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.25 -31.13 8.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.51 156.21 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -110.98 156.76 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -172.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -113.68 154.37 27.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 163.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -122.89 112.53 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -101.67 109.55 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.5 p -110.33 122.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -169.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 3.4 tmtt? -88.65 84.13 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -177.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -111.13 136.63 49.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.47 34.86 56.75 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.7 t30 57.62 31.59 20.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.19 160.53 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 100.0 t -109.35 121.63 62.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -169.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -105.7 149.83 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.248 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -106.36 122.93 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.7 m-30 -106.74 154.83 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.28 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -93.88 133.2 37.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.45 103.04 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 173.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -109.85 145.07 37.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -165.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -76.2 142.03 41.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.253 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 49.6 p30 -91.42 -169.02 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 170.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.56 -15.54 64.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.42 -10.99 53.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.227 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.47 71.96 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.52 145.4 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.22 141.53 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -165.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -144.95 159.28 43.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 167.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 67' ' ' TRP . 3.6 tt -102.38 -70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD1' HD22 ' A' ' 66' ' ' LEU . 19.3 m95 -102.14 -87.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.32 -35.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 137.83 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -132.53 127.43 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 -176.066 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -119.08 179.72 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 168.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.0 -22.13 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.3 p -150.76 157.87 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.4 tp -52.05 -42.07 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -57.59 -36.92 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.67 -37.93 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -83.05 -21.13 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -170.265 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.41 -20.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.17 -39.55 68.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 166.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.1 -49.22 77.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 167.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -77.6 4.27 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -88.12 -50.46 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -71.55 -34.92 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.5 m -119.83 141.01 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.1 p -59.57 152.77 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.03 -12.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.227 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -153.2 152.1 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.5 -22.89 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -110.03 -32.18 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -109.45 94.0 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.15 68.72 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 -168.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.401 ' CG2' HG21 ' A' ' 45' ' ' VAL . 59.7 mt -102.84 137.97 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.74 151.58 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 mt -103.02 89.9 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -110.99 143.72 41.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.25 -168.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -179.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.37 -125.77 38.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.64 55.81 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 111.231 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 8.9 tt -69.99 139.31 87.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -68.09 146.87 72.03 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.785 1.656 . . . . 0.0 111.132 170.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -55.98 -34.56 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.23 -63.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 171.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.56 -39.11 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -169.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -38.63 90.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -73.28 -40.9 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.76 -46.09 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.4 mtm -60.55 -41.9 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.242 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 46' ' ' LYS . 89.4 mt -65.85 -34.98 79.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.8 p -78.75 -12.91 60.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.93 -33.02 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 165.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.25 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 50.01 49.96 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -128.33 99.09 5.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 94.7 m-20 -60.01 132.61 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -34.37 5.84 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -66.45 151.35 47.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.181 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.73 165.02 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -130.33 120.53 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 170.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.8 mt -97.88 131.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.0 ptt-85 -145.05 164.09 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -93.73 135.14 35.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 174.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 t -70.38 142.25 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -88.62 -8.05 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -100.29 -28.8 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.22 76.88 68.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.24 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.25 139.44 63.47 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.684 1.589 . . . . 0.0 111.219 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.28 -26.32 24.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -98.89 151.96 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -109.52 159.58 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -118.81 153.07 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 164.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -122.5 110.01 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 m -99.71 110.07 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.535 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -103.11 123.43 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -171.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 11.8 tptt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.273 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -129.82 130.15 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 172.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' ASP . . . 78.57 27.1 57.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 61.49 7.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 48' ' ' GLY . 21.9 t0 -112.08 170.04 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 167.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.8 t -119.0 128.63 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -110.01 144.65 38.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.254 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -102.92 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -173.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -105.37 149.33 26.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -93.91 119.97 33.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.43 106.46 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.38 144.39 39.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -158.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -65.77 139.46 58.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.79 173.56 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 -16.88 61.9 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.28 59.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.96 88.77 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -82.93 168.86 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.21 143.66 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -144.74 169.8 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.84 -63.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -88.4 172.97 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.235 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.25 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 162.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.4 t -79.52 123.74 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 163.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -139.27 141.0 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.1 -167.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -58.0 -25.63 61.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -170.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.6 p -156.47 163.49 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 tp -51.69 -44.04 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 170.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.91 -36.2 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -70.44 -44.36 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -75.5 -30.15 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.08 -26.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 175.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.92 -41.66 64.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.01 -49.15 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 168.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -84.11 10.72 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -87.79 -45.64 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.3 p -81.8 -21.2 37.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.8 m -132.39 142.35 49.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.9 p -62.49 156.62 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.42 -13.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -160.99 155.55 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.37 -25.7 62.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -113.87 -40.42 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.19 70.2 2.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -82.08 66.81 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -156.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.535 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.9 mm -79.35 141.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.249 171.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -116.27 148.81 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -110.91 105.46 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.51 152.13 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.533 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.405 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 90.6 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.44 -128.02 45.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.16 60.69 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 111.217 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.411 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.5 tt -69.89 139.52 88.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 167.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.6 Cg_endo -67.13 146.05 75.18 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.622 1.548 . . . . 0.0 111.253 170.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.85 -34.39 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.59 -65.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -70.19 -38.85 75.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.225 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.51 -40.77 95.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -72.33 -40.23 67.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.88 -46.9 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.6 mtm -61.21 -44.12 97.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.5 mt -62.31 -36.47 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.3 p -75.63 -3.34 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.02 -24.25 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 170.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -70.6 -40.52 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 60.07 26.87 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -104.15 94.8 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.52 128.75 35.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.12 -23.81 29.64 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.45 162.3 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.165 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -155.46 156.94 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -123.71 118.71 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 174.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.4 mt -99.1 130.05 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -143.55 164.63 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -91.7 135.03 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -68.46 141.62 55.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -85.86 -31.69 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -80.58 -22.25 40.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.79 75.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.94 139.81 69.59 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.697 1.598 . . . . 0.0 111.243 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.99 -22.02 43.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -102.26 153.8 19.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 111.238 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -172.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 m -124.5 153.2 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 166.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.97 111.25 16.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -99.73 111.57 23.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.544 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -102.31 125.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 -167.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.3 tptp -77.55 85.31 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CD2' HG12 ' A' ' 92' ' ' ILE . 8.3 t80 -112.62 120.39 41.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.47 -136.59 39.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -169.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.54 21.38 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.04 176.0 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.248 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 t -124.59 125.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.98 167.75 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 174.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.568 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -129.51 115.15 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -172.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -96.77 141.5 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -81.64 120.66 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.0 92.3 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -107.21 150.07 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -158.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -76.88 136.57 38.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 168.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -90.77 -168.58 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.34 -16.78 63.16 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.09 -12.19 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.273 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.84 13.93 76.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -165.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.38 143.68 27.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.26 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -86.58 136.98 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -140.87 160.06 40.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 171.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 7.2 tt -122.08 120.0 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 27.4 m95 55.23 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.36 -10.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.03 139.51 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.243 -168.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -149.53 139.87 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.87 -164.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -55.45 -28.06 52.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.13 153.58 29.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' ' 74' ' ' LEU . 6.9 tt -57.53 -28.25 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.199 173.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -59.44 -19.65 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.23 -31.61 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.275 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -79.79 -25.04 41.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.36 -27.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.62 -41.06 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -56.01 -48.41 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 167.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -82.29 8.86 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -94.22 -50.02 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -69.57 -37.55 77.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -117.99 139.32 51.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.1 p -59.97 153.22 21.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.56 -28.37 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -157.26 158.12 35.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.12 -26.6 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -99.7 0.08 41.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -139.12 101.36 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.44 67.89 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 -173.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.544 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.4 mt -117.67 125.35 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -174.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -122.83 109.95 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.65 81.26 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -170.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -77.99 148.11 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.172 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.48 -118.91 12.67 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -81.95 65.78 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.412 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 7.9 tt -70.05 139.92 88.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 172.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.0 Cg_endo -67.67 148.4 77.75 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.701 1.601 . . . . 0.0 111.173 169.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -56.01 -35.45 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -71.49 -38.33 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -168.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.97 95.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.7 -40.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.44 -47.14 82.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mtm -60.46 -45.52 93.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 90.8 mt -62.82 -36.95 84.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.4 p -71.82 -7.44 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -99.54 -24.95 14.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.07 -41.32 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 60.1 26.51 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -102.95 95.15 5.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.38 128.3 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.82 -29.66 11.39 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.54 152.22 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -146.48 155.95 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -171.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.46 113.62 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -94.01 128.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CB ' HG22 ' A' ' 11' ' ' ILE . 40.7 ptt85 -141.42 156.58 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -88.14 136.32 33.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.238 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -71.24 141.76 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.188 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -82.56 -33.37 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -79.59 -22.41 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.63 75.5 43.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.08 139.78 70.92 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.788 1.659 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.54 -20.55 50.26 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -106.06 155.48 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -120.01 154.53 34.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 m -113.85 156.9 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 164.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.49 111.08 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -101.44 109.51 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -107.01 125.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.264 -167.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 24.5 tptp -82.64 86.62 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -102.24 126.71 49.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.99 -131.78 45.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -171.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.56 2.99 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -113.77 171.1 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.19 123.77 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 172.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -96.77 148.5 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.466 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t-80 -110.04 118.26 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -103.44 154.08 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -100.58 126.15 47.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.71 95.06 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.9 mt -110.02 151.04 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -159.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -78.48 137.19 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -90.93 -168.96 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.219 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.28 -15.77 63.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -175.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.32 -12.56 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.686 0.279 . . . . 0.0 111.139 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.23 12.87 78.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -165.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -94.95 141.29 28.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -89.01 135.59 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -170.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -141.21 161.92 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.232 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 6.7 tt -120.82 121.14 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 24.4 m95 56.19 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -169.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.7 -6.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.23 135.59 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -167.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -133.53 129.93 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.74 -173.51 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 170.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -55.74 -26.28 44.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.0 t -155.22 151.0 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.66 -33.36 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 167.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.37 -7.85 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -101.74 -43.87 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.3 pp -67.44 -21.02 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.45 -26.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.02 -38.47 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -55.86 -48.55 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 167.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -78.13 1.67 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 -88.16 -47.15 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.4 p -83.03 -20.96 34.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.4 m -130.77 140.84 50.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.0 p -61.38 150.12 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.72 -23.74 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.266 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 t -149.42 153.73 37.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -172.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.84 -25.26 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -106.96 -34.26 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -174.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -107.83 92.58 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -77.64 66.52 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -166.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.407 ' CG2' HG21 ' A' ' 45' ' ' VAL . 53.4 mt -99.87 137.4 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.77 154.11 29.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.209 174.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -106.44 105.59 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.216 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 96' ' ' ASP . 75.2 mtt85 -112.63 160.03 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -173.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 27.0 t0 . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.46 -131.97 51.25 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.8 62.36 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.258 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.411 HD11 ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -75.73 137.08 70.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.64 147.77 57.95 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.686 1.591 . . . . 0.0 111.196 169.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -61.24 -20.79 63.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.02 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB2' HD11 ' A' ' 11' ' ' ILE . 23.7 mmmt -90.09 -55.21 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -60.87 -26.96 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -163.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -88.59 -33.88 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -60.62 -37.04 80.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.3 mtt -63.05 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 mt -85.24 -33.98 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -168.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -70.41 -15.92 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.76 -30.91 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.86 -38.47 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.207 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 59.93 30.59 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 25' ' ' HIS . 3.3 t-160 -100.67 96.78 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.613 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 35.0 p30 -64.12 123.25 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -173.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.04 -19.58 43.19 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 150.41 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.3 tt -130.63 119.36 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.171 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.88 130.18 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -145.41 168.26 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 -170.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -92.11 139.13 30.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.182 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -73.26 140.48 46.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -87.72 -10.49 50.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 100.0 p -97.82 -23.74 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.92 77.54 37.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.196 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.47 138.0 65.64 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.647 1.564 . . . . 0.0 111.202 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.63 -25.58 27.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.71 154.28 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 111.243 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -109.88 159.99 16.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.285 -174.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -120.41 154.89 34.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 164.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tt -121.28 109.97 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -97.81 109.65 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.0 p -107.03 126.07 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -171.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.6 tptp -89.08 90.83 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.26 175.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -113.85 136.12 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.68 -128.13 37.57 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -105.26 2.25 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -114.05 169.57 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 -173.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 87.8 t -118.21 126.12 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 168.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.402 ' HB3' HE22 ' A' ' 52' ' ' GLN . 24.3 mt-30 -101.55 149.45 24.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.498 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.3 t-80 -107.49 119.87 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -106.22 147.56 28.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.256 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -93.26 119.98 33.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -105.53 105.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -111.67 147.66 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -159.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -74.36 136.86 42.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -96.37 -173.0 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.212 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.28 -2.61 79.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.28 -12.84 31.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.97 10.59 71.74 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -99.32 162.08 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -142.48 168.2 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -136.83 -60.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CD2' HD22 ' A' ' 66' ' ' LEU . 71.3 m95 -92.18 174.65 7.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.53 -23.78 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 165.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.98 130.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 165.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -134.53 132.53 39.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -123.75 -171.55 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.32 -21.14 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.4 p -153.23 159.76 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.4 tp -51.13 -42.54 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.66 -39.96 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.26 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -75.88 -30.11 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -167.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.71 -26.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.63 -42.7 64.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -53.65 -46.45 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 169.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -90.21 20.88 4.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -92.22 -48.26 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 163.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -79.2 -18.59 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.55 146.58 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.2 p -55.82 158.58 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.08 -26.01 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -163.9 -174.22 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -103.81 -9.47 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.73 4.32 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -171.79 108.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -84.62 62.24 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -169.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.549 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.1 mm -84.66 142.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.76 141.72 50.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.8 mt -107.65 96.18 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.01 150.68 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -171.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.312 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.82 -128.47 43.15 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.19 59.61 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.705 0.288 . . . . 0.0 111.203 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.5 tt -70.08 139.74 87.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 168.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 91.3 Cg_endo -67.62 146.56 73.9 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.623 1.549 . . . . 0.0 111.27 170.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.06 -35.24 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 172.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -63.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.166 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -71.44 -38.81 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -168.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.83 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -174.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -72.52 -39.46 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.69 -45.72 85.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.262 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 99.3 p -72.3 -24.27 61.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.41 -37.49 43.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.701 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.6 tp-100 -66.43 146.6 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 167.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -118.58 48.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -130.31 99.61 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -171.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.73 137.54 54.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 174.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 95.89 -22.17 40.87 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.15 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -144.37 162.75 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -172.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.22 112.41 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 171.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.63 132.74 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 33.9 ptt-85 -145.34 159.73 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -173.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.68 134.21 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 142.21 56.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -84.27 -33.45 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -79.51 -22.22 44.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.245 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.53 76.83 47.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -53.86 139.68 68.85 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.596 1.531 . . . . 0.0 111.229 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.82 -22.29 41.33 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.18 159.7 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.59 156.33 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -170.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -112.82 155.26 24.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 162.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.66 107.41 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -99.56 111.78 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -109.99 127.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -171.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.701 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 43.6 tttt -85.69 99.31 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 171.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -103.93 127.09 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.222 165.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.74 -122.28 27.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.3 5.74 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.184 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -112.65 156.95 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 48.2 t -112.35 131.97 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.0 142.54 41.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . 0.49 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.2 t-80 -103.41 119.42 38.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.435 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -104.37 155.83 18.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -100.78 124.81 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -109.58 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.41 150.93 38.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -164.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -86.8 141.54 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -93.41 -171.61 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.69 -5.88 75.49 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.87 -11.75 38.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.215 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 15.43 70.8 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -167.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -102.78 149.17 24.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -97.0 139.63 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.99 169.24 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -135.42 -64.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -92.93 -96.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -138.9 -55.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.71 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.174 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -126.08 129.35 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.62 -174.03 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 173.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -72.03 -16.75 62.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 150.78 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.2 tp -43.62 -40.28 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 167.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.25 -20.94 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -90.21 -41.63 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -73.95 -29.36 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.6 -25.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -74.18 -40.69 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -55.66 -47.52 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -85.5 12.4 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -89.79 -46.65 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 163.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -66.58 -39.5 88.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -120.07 136.89 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.1 149.54 12.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.13 -18.57 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 t -150.46 152.87 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -171.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.09 -11.32 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 175.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -113.71 -31.78 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -109.6 94.06 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.242 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -75.12 75.5 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 -169.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.448 ' CG2' HG21 ' A' ' 45' ' ' VAL . 46.8 mt -114.31 126.58 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.413 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 13.3 m-85 -117.35 118.22 31.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -76.14 80.46 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.243 -172.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -90.03 156.66 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 176.551 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 90.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.795 0.331 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.24 -127.56 43.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.52 59.85 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.407 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.6 tt -70.0 139.83 88.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 168.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.0 Cg_endo -67.28 146.09 74.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.85 -35.28 66.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 172.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -71.02 -38.62 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -168.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.79 -40.58 95.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.71 -39.96 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.58 -46.99 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.9 mtm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.4 mt -64.72 -39.78 94.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -72.57 -12.27 61.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.26 -25.77 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 168.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.99 -41.74 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 59.92 32.44 21.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.92 94.69 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.9 129.73 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.26 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.67 -28.38 15.16 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.2 157.05 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.22 159.07 44.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -127.09 111.95 14.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.176 171.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.48 129.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.0 ptt-85 -142.3 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -173.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -89.99 135.24 33.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.7 t -68.33 140.85 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -84.62 -30.62 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -82.51 -22.21 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.33 74.88 47.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.77 140.31 67.37 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.741 1.627 . . . . 0.0 111.225 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.25 36.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.08 155.08 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.263 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -109.93 156.42 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 161.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.96 110.42 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 m -101.43 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.566 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.6 p -102.79 124.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -169.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.2 tptp -77.95 86.13 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.246 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CD2' HG12 ' A' ' 92' ' ' ILE . 7.4 t80 -113.18 121.16 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.98 -132.49 43.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -167.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -101.7 10.85 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.214 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -131.5 151.34 51.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.0 t -107.15 119.01 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -92.49 151.81 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -110.54 125.8 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' HB3' HD21 ' A' ' 66' ' ' LEU . 13.7 m-30 -110.86 144.44 39.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -84.14 116.76 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.12 107.28 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.232 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -109.85 137.66 47.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -163.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.29 135.89 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 40.7 p30 -95.47 -175.12 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.94 86.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.28 -11.63 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.1 9.78 72.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -166.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -102.5 168.54 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 111.195 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.4 147.44 46.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.19 168.29 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.512 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.6 tt -135.54 -66.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.208 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CD2' HD22 ' A' ' 66' ' ' LEU . 96.8 m95 -91.3 -96.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -167.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.27 -59.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.19 138.27 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 162.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 86.9 tttt -131.88 142.41 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.03 -171.68 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -64.91 -23.32 67.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.228 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.3 p -152.33 161.46 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.8 tp -50.36 -42.77 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.12 -36.81 75.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.24 -42.04 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.7 pp -75.58 -29.21 59.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -171.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.0 m -77.1 -26.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.244 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.46 -40.22 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -57.19 -49.33 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -85.24 16.63 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -93.0 -48.87 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 162.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -73.84 -20.65 60.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.3 m -131.73 144.56 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -58.46 159.13 6.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.87 -27.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -159.43 157.82 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.185 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.65 -26.62 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -97.3 -0.42 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -141.29 98.11 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -79.03 68.27 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.227 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.566 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.8 mt -115.39 122.43 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -119.73 110.34 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.231 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.58 79.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -82.14 159.85 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.64 -129.23 44.11 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -82.41 60.11 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.1 tt -70.04 139.74 88.0 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 168.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 96.6 Cg_endo -67.29 146.06 74.24 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.209 170.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.82 -34.8 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 172.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.07 -64.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 171.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -70.8 -38.49 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.234 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -174.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -71.87 -40.26 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.282 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.62 -39.35 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.253 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.77 -35.89 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.7 p -78.22 -18.56 55.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.14 -34.49 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 167.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.5 tp-100 -67.84 147.1 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 165.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -119.02 64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -152.51 87.08 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 -168.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -58.18 132.72 54.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 -32.06 7.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -170.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.35 150.99 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.78 161.47 41.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -171.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.62 116.29 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.5 mt -95.94 131.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -143.94 165.3 28.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -89.31 136.41 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -71.3 139.35 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -83.53 -32.49 25.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 173.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 m -71.5 -35.03 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.3 78.93 73.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.34 140.52 73.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.699 1.599 . . . . 0.0 111.232 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.93 -23.41 36.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -99.07 155.77 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -109.72 155.73 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.244 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -120.09 152.83 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 163.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -124.43 109.99 13.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 m -98.16 114.6 26.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.6 p -110.23 126.32 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.668 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 48.3 tttt -90.57 101.71 14.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 171.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -129.93 120.03 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 166.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.37 7.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.8 t30 59.43 26.1 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.173 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -156.18 158.56 37.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 171.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 52.8 t -108.22 127.72 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -166.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.416 ' HB3' HE22 ' A' ' 52' ' ' GLN . 18.5 mt-30 -101.46 164.41 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.224 166.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -121.78 130.39 53.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -108.42 145.3 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.217 170.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.39 122.26 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.58 109.81 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.93 142.82 48.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -160.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -74.65 137.26 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.1 p30 -94.65 -171.15 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 170.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.68 -5.9 75.53 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -9.49 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.11 15.98 73.25 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -106.81 151.84 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 0.0 111.194 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.65 143.06 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -143.82 171.87 13.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -128.8 125.96 38.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.4 m95 42.98 -109.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.78 17.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.75 134.04 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -131.87 128.26 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -173.72 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.74 -173.75 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 164.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -60.83 -23.15 64.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -173.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -157.28 160.76 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.83 -42.57 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 168.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.58 -34.85 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.12 -44.04 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.0 pp -73.3 -26.83 61.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -171.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -78.2 -27.97 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.213 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.38 -38.42 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 169.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.42 -47.92 78.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.22 166.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -72.06 -6.45 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -85.44 -46.98 10.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.264 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.8 p -81.02 -20.27 42.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -135.97 144.2 45.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -59.58 151.29 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.228 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.84 -41.03 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -150.26 152.37 34.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -169.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.77 -16.09 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -110.67 -31.23 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -111.31 102.29 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.85 75.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -170.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.513 ' CG2' HG21 ' A' ' 45' ' ' VAL . 9.2 mm -113.48 146.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -121.26 152.01 39.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.243 159.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.68 102.33 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -115.91 152.83 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -179.645 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.28 120.25 53.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -58.44 149.57 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.702 1.601 . . . . 0.0 111.232 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.405 ' O ' ' HA2' ' A' ' 9' ' ' GLY . 73.1 m-70 -83.04 116.38 63.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.98 -2.73 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.651 1.567 . . . . 0.0 111.203 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -55.4 146.25 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 55.08 -104.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -128.69 24.76 5.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 58.84 -117.97 12.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -100.62 38.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 111.181 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.8 tt -51.54 139.43 28.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -68.98 147.51 68.07 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.745 1.63 . . . . 0.0 111.164 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.29 -34.72 64.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.235 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.79 -62.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.1 -38.54 72.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.434 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.09 -41.41 98.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -173.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -73.86 -38.51 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.59 -46.68 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.219 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 55.3 mtm -60.33 -44.41 95.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 92.9 mt -61.52 -36.73 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.9 p -74.95 -5.6 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.54 -25.6 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.34 -40.23 77.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.191 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 59.97 25.94 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.29 96.25 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.37 131.61 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 -22.41 39.65 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.62 161.84 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 111.192 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -152.55 163.4 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.9 tt -127.97 122.37 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 169.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -99.96 131.0 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 32.4 ptt-85 -145.28 153.27 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -173.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -93.51 143.23 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -83.54 142.23 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -83.06 -28.14 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -78.04 -22.6 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.74 76.22 35.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -54.43 138.86 74.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.695 1.596 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.98 -20.62 50.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.69 156.48 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.3 160.2 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -113.69 153.04 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 164.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -123.21 107.74 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 175.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -100.84 109.23 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.3 p -103.55 125.57 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -167.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 26.3 tptp -81.95 89.78 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -104.01 128.87 51.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.17 -126.01 41.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -109.21 20.21 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.241 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.28 173.12 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.44 133.09 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -108.99 144.39 37.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.544 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.4 t-80 -103.77 119.01 38.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -103.97 150.36 24.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.3 120.06 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.43 108.63 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.27 136.99 52.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -160.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -84.36 133.36 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 28.5 p30 -95.99 -176.58 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.43 -2.29 83.99 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.46 -10.5 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.75 8.21 76.96 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -99.98 170.26 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -117.3 146.45 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.23 166.52 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -138.31 -56.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.3 m95 -93.86 176.5 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.57 -22.6 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 163.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -80.08 123.93 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.67 129.48 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -173.065 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.88 -176.32 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -62.46 -24.51 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -154.1 159.83 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -49.92 -41.98 47.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 169.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.58 -37.95 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.29 -43.07 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.519 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -75.18 -30.13 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -169.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.13 -27.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.94 -41.95 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -55.33 -48.38 74.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -87.67 12.13 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -85.65 -39.46 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 163.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.8 p -85.52 -24.56 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -126.51 138.06 53.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 t -58.21 147.7 29.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.6 -15.85 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -152.97 152.73 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.37 -12.74 53.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.65 -33.91 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.232 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -111.92 97.41 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -72.62 72.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.458 ' CG2' HG21 ' A' ' 45' ' ' VAL . 60.3 mt -115.23 133.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.95 158.18 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.32 104.25 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 173.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -112.67 146.65 38.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.62 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.793 0.33 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.31 127.61 93.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.37 174.0 13.41 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.728 1.619 . . . . 0.0 111.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -64.42 135.93 96.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.96 -9.42 19.43 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.744 1.629 . . . . 0.0 111.204 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -62.79 142.04 58.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 49.93 -105.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -127.06 15.36 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -172.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.91 -127.8 41.85 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -83.83 60.8 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.248 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.7 tt -69.97 139.84 88.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 167.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 95.1 Cg_endo -67.23 146.25 75.25 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.719 1.612 . . . . 0.0 111.223 171.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -55.85 -35.17 66.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.31 -64.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.212 171.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -71.08 -38.45 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.218 -168.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.64 -40.38 96.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -72.73 -39.83 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -56.73 -47.62 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.7 mtm -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.95 -36.18 83.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.2 p -77.66 -12.39 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.91 -26.26 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 58.06 36.89 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -119.98 95.4 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.09 136.16 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 100.98 -23.11 36.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -173.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 157.39 35.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 111.205 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -147.4 162.92 38.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.226 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -129.23 113.95 15.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 168.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.11 133.21 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.412 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.8 ptt-85 -147.1 160.33 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.42 134.32 33.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -67.71 141.58 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.01 -32.27 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -79.76 -21.8 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.8 75.54 49.07 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.24 139.94 72.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.686 1.591 . . . . 0.0 111.165 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.23 -19.18 55.5 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -105.92 158.62 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 111.181 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -110.2 156.67 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -116.34 154.57 29.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 159.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.37 110.48 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.6 m -99.81 110.22 22.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.558 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -104.71 121.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -85.16 96.43 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 172.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -128.74 122.0 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 88.3 39.36 6.86 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 58.98 22.89 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -154.64 169.22 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 63.0 t -115.23 128.85 72.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -171.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -102.87 150.03 23.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -110.74 127.04 55.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -111.32 152.21 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -91.74 127.77 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.98 112.03 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.05 159.67 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -163.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -92.81 134.62 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -90.4 -170.01 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -16.3 64.38 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.04 -10.51 54.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.29 81.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -168.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -97.38 147.75 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 111.238 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -83.82 139.97 32.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.238 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -147.14 168.81 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.268 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.2 tt -134.19 -61.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.402 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.5 m95 -88.4 174.05 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.14 -23.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 164.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.88 130.56 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 166.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.0 tptm -133.2 134.58 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -172.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' H ' ' A' ' 72' ' ' ASN . 66.3 m-85 -129.2 -169.0 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 171.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' H ' ' HB3' ' A' ' 71' ' ' PHE . 61.7 m-80 -65.89 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -169.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -154.98 161.54 41.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -48.28 67.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.74 -35.26 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.204 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.21 -45.59 66.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.8 -30.14 61.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -170.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.71 -24.74 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -40.14 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 170.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -55.7 -47.81 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 167.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -86.34 14.8 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -89.89 -44.88 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 164.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -76.64 -21.47 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -134.37 142.8 47.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -49.83 156.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.5 m -73.42 -19.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -162.24 156.52 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.58 -17.27 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -113.14 -40.84 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -93.73 95.75 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.63 75.45 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -165.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.558 ' CG2' HG21 ' A' ' 45' ' ' VAL . 8.6 mm -120.01 140.03 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.78 149.86 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 162.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.5 mt -110.04 105.65 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 172.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 27' ' ' GLY . 79.5 mtt180 -124.0 161.76 24.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -173.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.232 177.842 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.81 129.24 92.91 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -76.34 174.12 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.616 1.544 . . . . 0.0 111.253 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -65.48 134.81 95.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.21 -9.81 20.63 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.661 1.574 . . . . 0.0 111.195 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.79 140.36 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 48.53 -105.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.85 16.29 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 -129.64 43.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.57 60.87 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.7 tt -69.41 139.37 89.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 168.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.4 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -66.8 145.5 75.2 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.7 1.6 . . . . 0.0 111.149 170.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.81 -35.21 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.37 -65.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -71.14 -38.76 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.451 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.36 -39.99 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.232 -174.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -71.67 -39.37 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.5 -37.72 68.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.186 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.41 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.6 mtt -64.78 -54.21 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.48 -34.4 78.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.6 p -75.46 -9.3 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -98.78 -24.46 15.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -68.02 -35.65 78.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 59.78 29.9 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.45 92.64 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.402 ' OD1' ' NZ ' ' A' ' 46' ' ' LYS . 90.4 m-20 -59.29 135.16 57.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 174.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 105.17 -26.5 21.81 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -172.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 158.41 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.155 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -148.49 161.36 41.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -128.55 113.08 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 169.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.91 132.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -145.81 164.44 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -173.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -83.41 139.41 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -82.78 113.31 20.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.05 -32.92 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -78.95 -9.72 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.55 72.45 9.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -55.27 140.6 81.68 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.734 1.623 . . . . 0.0 111.23 -173.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.53 -36.64 4.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -88.67 159.37 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.16 154.8 20.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.15 109.91 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -98.58 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.558 HG21 ' CG2' ' A' ' 92' ' ' ILE . 13.0 p -103.03 124.43 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -172.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.1 tptp -88.71 94.7 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -129.67 130.67 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.79 38.22 17.04 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 60.02 27.28 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -156.79 172.42 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.269 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 80.1 t -118.28 129.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -106.19 149.97 26.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -107.36 126.9 53.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.41 147.65 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.01 121.58 32.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -104.88 106.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.72 140.63 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -161.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -78.11 137.78 38.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -91.07 -170.4 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 172.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.17 -13.95 65.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.98 -11.03 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 16.67 71.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -168.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.72 146.62 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.187 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -167.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -141.67 166.02 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 171.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.9 tt -135.06 -63.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.54 -97.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -169.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.0 t -139.19 -56.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.15 141.1 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.6 tptm -124.23 128.33 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -117.26 -178.45 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.8 -22.45 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -151.13 149.46 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.1 tp -44.43 -40.85 5.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 168.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.51 -40.75 9.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.63 -29.28 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.246 -175.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.86 -25.56 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.51 -42.12 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -53.13 -46.63 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -88.88 18.71 4.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -93.99 -47.83 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 164.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.0 p -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.7 m -132.88 145.91 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 p -56.65 163.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.85 -14.44 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -167.4 158.98 12.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.42 -23.29 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.68 -41.41 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.232 -173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -91.72 95.41 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -76.73 76.51 3.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.558 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -120.07 140.0 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.6 148.59 40.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 163.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.57 105.83 15.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.206 173.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' GLY . 99.6 mtt180 -123.23 161.33 24.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.341 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.54 149.76 45.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.03 173.26 14.74 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.712 1.608 . . . . 0.0 111.153 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -87.77 120.02 70.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -78.15 46.62 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.64 1.56 . . . . 0.0 111.192 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -135.79 170.35 16.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.231 -171.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.62 143.54 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 168.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -65.02 -27.75 69.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -16.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.73 -126.84 8.46 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 84.2 tttt -83.13 52.17 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 12.3 tt -58.06 137.29 84.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 163.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 147.39 78.11 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.654 1.569 . . . . 0.0 111.136 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.8 -37.27 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.23 -65.99 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -71.13 -37.68 72.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -169.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.2 -42.9 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.266 -174.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -71.99 -37.74 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.17 -45.84 79.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 11' ' ' ILE . 54.0 mtm -65.01 -38.24 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.7 mt -65.37 -36.14 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.7 p -74.98 -19.83 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.71 -30.45 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 166.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -90.44 84.27 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.58 67.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 -170.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -130.04 95.79 4.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.69 133.05 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 100.43 -24.86 30.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.72 161.61 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -150.36 159.1 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.4 tt -124.25 110.9 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 169.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -90.34 132.05 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 35.6 ptt-85 -146.23 164.94 30.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -170.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -71.29 134.14 46.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -57.21 140.53 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.194 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.68 -20.04 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.3 p -104.64 -22.8 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.76 81.64 14.63 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.183 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.41 138.67 56.36 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.737 1.625 . . . . 0.0 111.217 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.19 -22.92 31.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.72 164.21 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.57 165.36 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 m -123.62 152.93 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 166.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.94 105.93 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -100.45 110.98 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.515 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.5 p -104.45 123.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 -166.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.7 tptm -82.15 90.61 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -103.95 127.6 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.13 -126.37 42.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -170.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.76 -1.55 32.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -108.82 165.49 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.9 t -121.59 132.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.92 147.69 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -104.19 128.47 51.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.442 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.3 m-30 -111.56 146.42 37.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -87.57 121.41 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -110.17 112.09 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.03 143.23 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 -159.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -78.91 131.0 36.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -93.92 -172.93 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.81 -4.03 81.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -172.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.09 -9.29 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.316 . . . . 0.0 111.193 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 13.22 76.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -106.11 157.6 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -99.77 139.56 35.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -139.99 171.98 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 174.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.7 tt -135.81 -62.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.482 ' CD2' HD22 ' A' ' 66' ' ' LEU . 80.5 m95 -91.41 173.79 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -176.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.4 -23.39 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 162.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.75 128.72 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 165.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -133.59 132.82 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 -173.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.65 -170.17 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -63.85 -24.77 67.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -170.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.8 p -156.36 162.17 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.04 -48.62 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.94 -31.18 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.77 -45.0 38.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -75.05 -30.24 60.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.235 -169.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.66 -23.72 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.05 -40.96 64.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.9 -47.99 76.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.261 167.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -85.53 11.9 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -88.89 -41.34 12.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 162.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -69.71 -39.54 76.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.5 m -119.76 136.52 54.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 t -57.45 147.04 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.431 ' HB ' ' CZ2' ' A' ' 67' ' ' TRP . 34.0 m -77.08 -14.01 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -137.5 148.49 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.21 -3.22 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -109.71 -30.69 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.252 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -123.83 133.23 53.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.17 73.03 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.515 ' CG2' HG21 ' A' ' 45' ' ' VAL . 28.1 mt -109.02 115.49 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 32.9 m-85 -117.23 118.09 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 mt -71.0 78.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -171.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -87.1 158.26 19.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.215 176.053 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -67.53 125.09 90.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.33 174.47 12.35 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.71 1.607 . . . . 0.0 111.201 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.36 139.69 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.62 -11.28 22.2 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -65.62 143.25 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 49.78 -105.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -127.87 14.91 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.33 -126.08 35.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 84.6 tttt -83.47 54.83 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.293 . . . . 0.0 111.157 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.4 tt -70.01 139.79 88.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 172.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 92.4 Cg_endo -67.46 148.25 78.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.72 1.613 . . . . 0.0 111.181 170.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -56.59 -35.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -64.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.217 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -168.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.447 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.16 -39.51 92.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -71.85 -40.4 69.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.239 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.97 -42.05 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.425 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.7 mtt -58.44 -47.32 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.0 mt -74.53 -37.43 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -66.55 -23.34 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -87.64 -32.49 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.53 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 56.33 40.22 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -115.66 90.68 3.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -53.9 127.32 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.78 -25.54 25.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.77 148.62 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -143.66 157.22 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -172.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.0 tt -127.83 114.5 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.2 129.19 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 ' HB2' HG22 ' A' ' 11' ' ' ILE . 36.4 ptt85 -141.75 166.29 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -173.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -88.14 135.52 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -61.1 140.45 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -83.57 -13.01 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.9 p -109.67 -22.31 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.94 75.78 47.62 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.92 140.27 58.79 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.218 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.47 -21.98 40.61 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -104.52 156.46 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.413 ' HD1' ' HA ' ' A' ' 41' ' ' PHE . 2.5 m-30 -105.24 155.37 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -119.03 151.44 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.245 160.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 3.5 tt -122.41 112.09 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 175.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.2 p -107.9 127.69 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -172.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 15.4 tptp -89.78 88.97 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -105.35 132.17 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.22 -123.75 31.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -168.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -113.9 11.27 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -135.81 129.01 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.94 130.75 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -108.0 146.21 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.02 124.2 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.263 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' HB3' HD21 ' A' ' 66' ' ' LEU . 12.8 m-30 -106.38 137.85 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 175.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -72.49 126.38 29.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.84 110.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 171.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 mt -109.94 141.97 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 -163.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -79.87 134.37 36.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 41.1 p30 -94.29 -174.75 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.217 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.81 -1.04 86.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.46 43.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 111.145 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.9 10.53 72.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -167.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -108.27 176.2 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 111.22 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -125.18 144.52 50.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -138.25 169.22 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.481 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.43 -67.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CD2' HD22 ' A' ' 66' ' ' LEU . 93.6 m95 -91.83 -91.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -172.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.85 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.261 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.43 138.65 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 167.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 12.1 ttpt -139.81 140.51 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 175.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.29 -166.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.71 -20.12 54.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -174.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.9 t -154.39 149.4 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp -44.0 -38.11 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 165.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -74.33 -3.86 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.219 -172.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -103.85 -38.19 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -72.12 -26.99 62.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.82 -25.53 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 172.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.77 -42.09 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 171.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -53.54 -47.05 70.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -90.16 20.35 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -93.95 -48.39 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 164.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.5 p -76.07 -21.38 56.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.233 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -129.96 142.92 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 p -60.31 162.9 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.44 -14.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -157.57 154.54 28.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -174.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.51 -23.25 58.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -112.41 -40.98 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.269 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -96.16 69.81 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.01 65.9 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -159.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.423 ' CG2' HG21 ' A' ' 45' ' ' VAL . 63.2 mt -94.51 140.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -113.93 149.39 35.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.77 90.59 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -103.4 165.2 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -171.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 171.101 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.14 146.75 68.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.26 173.36 14.3 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.255 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 138.0 80.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.68 -11.39 24.06 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -66.18 145.77 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -107.11 140.19 40.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -91.89 21.17 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 9.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -39.37 -56.84 2.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.908 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 46.7 tptt -111.03 47.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.212 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.431 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 tt -74.88 139.9 73.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 164.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 90.3 Cg_endo -68.89 149.17 72.05 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.75 1.633 . . . . 0.0 111.151 169.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.9 -35.38 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.223 171.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.51 -63.17 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 173.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -71.34 -38.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -168.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.99 95.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -70.43 -38.5 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.82 -46.18 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.42 ' CE ' HD11 ' A' ' 11' ' ' ILE . 58.5 mtm -63.83 -38.73 92.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLN . 72.8 mt -66.63 -31.22 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -83.05 -24.9 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.84 -38.68 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 164.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.7 tp-100 -70.4 145.62 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 164.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.88 -12.82 10.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.82 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -51.57 139.53 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.1 -35.7 4.88 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 153.57 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -146.67 161.63 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -172.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.59 115.73 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.9 mt -92.23 132.38 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 25.1 ptt-85 -147.44 163.83 35.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.3 137.42 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.243 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -58.5 141.34 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.64 -1.47 57.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -116.93 -24.87 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.4 79.46 25.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.242 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.21 140.5 51.38 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.625 1.55 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.99 -34.7 5.41 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -96.96 156.39 16.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.181 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -110.92 159.94 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -118.6 152.73 35.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 165.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -121.72 111.19 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -98.9 110.4 23.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.8 p -104.88 123.82 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -171.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 4.4 tptm -86.13 93.55 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.272 175.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -129.99 129.65 44.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 36.33 20.2 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 61.02 20.72 11.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -148.87 173.99 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.5 t -118.8 124.53 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.264 -174.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -96.37 147.96 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.522 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -109.98 118.49 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -105.51 150.75 25.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -90.6 123.41 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.92 106.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.98 146.5 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 -164.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -77.93 140.75 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 173.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.8 p30 -92.91 -170.67 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 169.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.74 68.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -11.28 46.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 111.197 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.24 16.72 71.01 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -168.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -104.14 146.65 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -91.96 140.7 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -168.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -144.01 167.23 22.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -134.18 -63.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -91.05 -97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.29 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.87 -56.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.8 140.61 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 170.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.7 tptm -124.14 128.09 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -116.55 -172.26 2.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.34 -26.18 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.6 p -158.22 162.8 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -47.6 -41.6 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.228 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.22 -23.06 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -87.13 -42.96 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -74.08 -29.43 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -172.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.36 -25.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -74.33 -40.25 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.0 -47.33 74.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 167.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -86.72 15.32 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -90.83 -48.65 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 164.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.9 p -75.82 -20.39 58.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.0 m -132.62 145.66 51.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 p -57.15 163.65 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.34 -13.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -167.02 159.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.255 -171.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.93 -20.58 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 171.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -113.32 -40.12 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -92.84 94.81 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -77.71 75.68 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 -165.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.542 ' CG2' HG21 ' A' ' 45' ' ' VAL . 6.7 mm -116.92 142.09 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 170.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -119.34 148.73 42.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 163.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -107.82 95.68 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.246 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -114.23 170.51 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -171.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 -178.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.39 127.59 91.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.37 160.15 39.24 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.678 1.585 . . . . 0.0 111.169 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -81.07 141.83 50.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.33 -8.23 15.07 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.677 1.584 . . . . 0.0 111.225 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -59.6 142.56 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 52.79 -100.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.21 15.89 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -172.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.89 -122.18 29.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -91.83 54.29 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 111.231 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.405 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 10.3 tt -65.62 139.78 97.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.217 173.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -67.95 147.44 74.21 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.739 1.626 . . . . 0.0 111.197 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -56.6 -34.64 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.63 -63.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -71.01 -39.36 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.267 -170.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.442 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -63.65 -31.84 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.245 -173.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -76.19 -47.17 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.91 -40.84 70.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 47.4 mtm -64.85 -27.53 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 -174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.0 mt -86.61 -34.05 19.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -73.28 -16.85 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -91.92 -28.43 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -65.55 -36.84 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 60.3 36.29 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -123.47 90.83 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 1.7 m-20 -61.38 132.23 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.53 -31.07 8.14 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 150.04 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -146.13 165.98 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.254 -173.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -133.75 128.3 34.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -104.94 129.99 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.1 ptt-85 -144.24 156.47 44.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -173.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -90.82 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -76.21 142.07 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.08 -17.74 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -91.22 -22.43 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.3 76.71 37.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.41 138.36 65.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.713 1.609 . . . . 0.0 111.256 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.38 -20.41 50.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -107.97 156.01 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -121.0 156.59 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -113.65 152.13 30.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 164.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -121.07 111.58 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 m -99.78 109.69 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.259 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.533 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.6 p -109.56 124.11 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -173.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.7 tmtt? -91.83 90.68 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -127.15 126.28 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.71 34.26 7.02 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 t30 59.12 27.05 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.149 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -159.02 169.93 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.165 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 96.5 t -113.58 124.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -94.55 148.02 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.559 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.1 t-80 -108.02 121.06 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.6 m-30 -105.55 148.5 27.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.209 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -88.65 126.92 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -108.54 117.94 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.4 144.49 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -159.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -83.15 138.77 33.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 45.8 p30 -91.7 -168.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.12 -16.73 64.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.95 -10.29 53.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.188 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.62 71.87 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -166.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -103.51 150.24 24.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -93.76 138.17 32.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -163.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.65 170.96 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.5 tt -136.54 -62.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -89.06 -103.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -166.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.56 -11.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.61 134.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -105.7 133.96 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -122.37 -173.98 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.8 -24.62 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -156.3 161.83 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.2 tp -53.05 -47.05 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.97 -33.11 70.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.254 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -73.57 -44.88 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -74.54 -28.4 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.35 -25.25 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.47 -39.75 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 170.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.04 -47.33 78.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.241 167.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.431 ' ND1' ' O ' ' A' ' 77' ' ' LEU . 66.8 m80 -82.1 9.6 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -90.18 -48.15 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.3 p -77.08 -21.52 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.95 141.6 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.166 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.3 p -60.01 157.93 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.96 -13.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -167.92 175.07 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -171.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -99.26 -13.43 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 170.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.51 -37.72 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.62 84.41 5.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -75.65 77.15 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -165.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.533 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -115.29 142.73 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 171.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -120.59 148.37 43.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 161.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.87 96.25 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -112.63 157.28 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 178.065 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.2 124.73 91.31 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.3 166.58 26.0 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.697 1.598 . . . . 0.0 111.19 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.24 138.35 86.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -90.02 -3.24 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.651 1.567 . . . . 0.0 111.182 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.487 ' O ' ' N ' ' A' ' 8' ' ' PHE . 85.9 m95 -71.29 112.49 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -156.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 t80 60.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 6' ' ' TRP . 20.2 m-85 -105.44 -28.29 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.06 -131.04 41.25 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -80.21 54.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 111.223 176.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 13.2 tt -67.1 138.47 94.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -69.17 152.28 72.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.684 1.589 . . . . 0.0 111.191 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.89 -36.79 68.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 171.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.8 -63.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -70.5 -38.71 74.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -170.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.3 -38.94 91.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.243 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.64 -40.66 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.93 -46.99 78.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.0 mtm -63.31 -39.6 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 91.1 mt -65.86 -35.39 80.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 178.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.0 p -76.8 -11.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.26 -27.09 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -73.27 -43.07 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 53.78 29.95 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.21 96.11 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.447 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 28.3 t0 -58.56 122.34 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 -177.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.99 -27.82 12.23 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 159.65 21.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 111.245 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -148.09 157.55 43.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.7 tt -124.28 113.49 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 169.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -90.68 130.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.2 ptt85 -144.87 166.84 24.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -88.96 136.22 33.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -66.31 142.22 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -82.3 -32.48 29.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.4 p -85.23 -22.78 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.25 76.23 44.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.28 140.68 61.75 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.726 1.618 . . . . 0.0 111.157 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.12 -25.07 29.69 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.41 155.7 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -110.93 154.54 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -114.92 156.35 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 167.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 4.6 tt -125.56 108.32 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -100.36 108.65 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -104.99 125.92 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -169.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 49' ' ' ASN . 11.0 tppt? -85.98 92.98 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.184 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -102.9 128.42 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 61.2 -118.61 15.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -163.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.7 m-80 -114.61 2.98 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -110.69 158.75 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 60.7 t -110.42 132.67 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -109.23 147.2 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -105.39 120.86 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.437 ' HB3' HD21 ' A' ' 66' ' ' LEU . 10.2 m-30 -103.22 165.09 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 172.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -116.78 116.33 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.93 98.14 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -102.84 144.65 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -160.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -88.8 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.21 171.92 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.28 -16.65 54.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.84 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.221 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.73 -3.79 86.01 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -77.49 144.25 37.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.09 140.62 37.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -146.9 166.8 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.197 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -128.18 -62.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -96.59 -91.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -135.43 -61.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.14 137.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -126.62 127.42 45.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -107.5 -176.09 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.04 -24.33 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 t -152.06 150.94 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.2 tp -47.15 -35.75 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 168.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.64 -9.38 58.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -173.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -98.22 -39.84 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.1 pp -72.22 -27.48 62.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -177.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -72.82 -26.04 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -74.57 -41.51 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 168.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.01 16.39 8.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -91.16 -45.5 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 163.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.1 m -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.9 m -119.83 136.13 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.34 149.16 13.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.7 -18.31 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.0 t -147.5 149.59 32.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.19 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.73 -19.51 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -106.22 -32.85 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.08 97.29 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.07 74.98 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -169.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.489 ' CG2' HG21 ' A' ' 45' ' ' VAL . 54.6 mt -114.27 122.88 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -116.58 116.3 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.71 80.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -170.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -83.79 152.69 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 173.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.14 128.21 93.69 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -76.29 166.16 28.11 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.737 1.625 . . . . 0.0 111.232 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -76.68 138.54 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.36 -8.97 15.11 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.668 1.579 . . . . 0.0 111.2 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -59.23 141.08 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 52.34 -99.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.63 15.26 4.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -171.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.96 27.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.65 56.13 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 111.167 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.424 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.0 tt -68.64 139.72 91.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 173.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.403 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.9 Cg_endo -68.21 147.11 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.626 1.551 . . . . 0.0 111.227 170.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.08 -34.87 66.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 171.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.16 0.7 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -70.8 -38.83 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.214 -169.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.253 -174.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -73.4 -39.01 65.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.4 -46.03 87.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 58.1 mtm -61.78 -41.36 97.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.0 mt -62.78 -42.84 99.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -66.17 -20.99 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -82.05 -31.77 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 168.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.572 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 5.3 tp-100 -79.53 108.26 12.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 176.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.04 1.98 41.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -170.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -84.68 100.1 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.49 145.87 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.45 -22.71 39.38 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 149.61 47.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.172 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -145.92 164.24 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -173.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.0 tt -131.52 118.84 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.1 128.77 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.424 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 30.9 ptt-85 -142.24 156.22 45.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.269 -172.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -89.16 136.97 32.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -76.41 142.82 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.05 -30.77 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.4 p -78.16 -22.82 48.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.46 77.35 40.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -54.31 138.42 72.73 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.693 1.595 . . . . 0.0 111.2 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -19.83 52.56 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -105.93 158.13 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.154 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -123.01 157.33 32.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.3 m -111.75 155.25 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 163.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.0 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 m -97.06 113.29 24.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.564 HG21 ' CG2' ' A' ' 92' ' ' ILE . 14.9 p -111.72 126.93 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 -172.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.572 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 54.5 tttt -93.08 99.98 12.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 171.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -129.32 113.36 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 167.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.89 32.07 5.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 59.49 27.8 17.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -158.28 158.7 34.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.2 t -109.05 130.55 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 -167.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -106.17 144.47 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.495 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.4 t-80 -104.34 119.16 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -105.14 164.85 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -114.41 118.99 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.21 108.25 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.86 150.66 38.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 -163.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -78.6 138.6 38.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.437 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 43.9 p30 -96.05 -172.85 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 170.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.52 -3.77 78.92 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -173.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 -10.0 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 111.236 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.28 72.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -168.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -106.19 153.57 21.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.226 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -96.46 140.45 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -142.88 167.51 21.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.8 tt -135.19 -56.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -94.82 177.03 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -64.31 -24.84 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 164.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.16 130.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 164.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.437 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.3 tptm -134.4 134.46 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -125.1 -176.61 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 168.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.89 -23.35 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.6 t -152.55 149.53 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.184 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.0 tp -44.8 -40.23 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.244 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.54 -23.5 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -173.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.2 -41.66 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -73.86 -30.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -172.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.38 -25.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.5 -41.68 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 173.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -55.82 -48.48 75.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 168.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -84.97 11.96 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -89.54 -44.66 9.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.252 164.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -81.03 -22.15 39.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.9 m -130.76 140.16 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 t -59.03 146.67 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.75 -19.69 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 t -153.96 154.57 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -169.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.31 -24.79 62.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -109.47 -37.67 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.88 90.66 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.87 81.34 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.564 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.2 mm -109.87 129.99 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -121.57 112.36 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.08 78.73 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.259 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -91.42 159.01 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 177.819 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.805 0.335 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 88.6 tttt -84.01 121.94 75.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 65.2 Cg_exo -58.02 156.22 30.1 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.673 1.582 . . . . 0.0 111.165 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -86.16 114.67 58.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.215 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -77.63 46.53 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.711 1.607 . . . . 0.0 111.207 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' GLY . 53.3 m95 -133.62 124.47 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -175.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.24 139.94 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.0 m-85 -96.3 25.4 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 13.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -40.26 -57.97 2.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -108.58 32.82 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.191 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 13.5 tt -64.69 137.26 97.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.26 149.41 45.47 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 168.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -59.28 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.13 -37.09 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -100.48 -43.37 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.24 -35.55 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.42 -48.24 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.229 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 mtm -59.97 -45.12 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 98.6 mt -64.16 -37.91 89.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -74.75 -11.15 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.45 -30.19 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.27 -39.7 86.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 60.01 22.71 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -98.51 86.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.87 129.33 37.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.94 -29.64 10.49 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.54 159.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 111.214 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -147.89 158.19 43.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -126.6 113.84 17.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 170.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -92.78 128.54 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.452 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.4 ptt85 -144.08 150.0 37.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -171.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.68 138.56 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -70.87 143.77 50.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.49 -19.99 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.5 p -95.67 -23.73 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.84 79.87 26.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.53 137.4 57.8 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.711 1.607 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.46 46.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.75 157.99 16.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.195 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -113.17 155.16 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -107.05 152.58 23.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 160.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -118.45 107.93 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.206 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -99.54 105.18 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.627 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.2 p -100.17 124.69 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 -165.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.8 tptp -77.32 87.27 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -117.19 128.15 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.66 -133.85 47.26 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -170.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.94 21.99 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.33 174.59 10.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.256 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 46.0 t -125.12 118.31 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -94.57 152.14 18.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.527 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.7 t-80 -109.53 116.54 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.418 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.5 m-30 -103.01 147.85 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 170.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -94.67 120.06 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.33 105.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.22 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.22 146.31 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 -160.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -78.5 139.13 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 172.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -92.75 -170.2 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 171.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.06 -11.63 67.25 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -10.37 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.57 16.9 72.23 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.25 147.27 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 111.208 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -91.34 139.27 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -167.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -143.64 171.22 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.36 -58.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE2' HD22 ' A' ' 66' ' ' LEU . 80.9 m95 -97.38 170.69 8.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.08 -44.09 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 163.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.74 127.17 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 163.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -143.25 145.19 32.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.411 ' HB3' ' H ' ' A' ' 72' ' ' ASN . 62.3 m-85 -123.24 -168.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.411 ' H ' ' HB3' ' A' ' 71' ' ' PHE . 67.0 m-80 -63.85 -24.56 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -167.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.3 p -153.43 160.35 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.54 -44.18 65.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.194 170.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.73 -35.98 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.9 -43.89 56.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -73.37 -29.92 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 -170.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.61 -26.54 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.44 -41.42 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 170.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -56.53 -49.21 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 168.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.47 11.73 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -89.65 -41.48 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 163.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -66.92 -38.41 86.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -128.57 138.95 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -57.2 148.33 22.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.9 m -69.46 -21.91 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -168.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.05 -5.0 58.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -114.65 -30.69 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -110.36 144.48 39.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -98.89 79.14 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.627 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.6 mt -119.05 110.69 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 -173.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -113.17 109.98 19.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.216 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.35 79.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -169.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.56 146.34 34.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.98 129.67 94.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.97 169.46 22.1 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.729 1.619 . . . . 0.0 111.254 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -69.14 136.91 89.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.229 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.78 -11.38 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.736 1.624 . . . . 0.0 111.278 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -59.0 137.58 57.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 51.62 -99.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -174.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 95.7 m-85 -134.72 9.54 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 -170.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.2 -128.74 48.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -82.03 62.71 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.401 ' HB ' ' CB ' ' A' ' 8' ' ' PHE . 9.9 tt -77.1 136.98 65.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 174.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.01 147.67 55.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.682 1.588 . . . . 0.0 111.17 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -58.38 -30.14 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -99.52 -42.48 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.02 -40.56 96.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.9 -35.09 57.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.21 -46.6 88.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 172.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -63.57 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.49 -43.21 93.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.2 p -65.2 -18.34 65.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.57 -10.23 38.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -77.97 -26.06 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 53.37 38.88 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -139.95 101.91 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.247 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.46 140.13 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -29.67 11.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.73 146.66 45.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.36 164.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -172.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.8 tt -136.2 124.17 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.14 130.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OG ' ' A' ' 44' ' ' SER . 33.7 ptt-85 -144.79 157.86 44.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -172.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -88.25 135.0 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -65.92 141.46 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.34 -9.35 56.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 172.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -105.22 -23.44 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.35 76.71 55.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.7 138.93 68.07 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.684 1.589 . . . . 0.0 111.182 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.82 -21.82 44.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.9 155.87 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 111.214 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -115.48 153.06 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.9 m -109.06 154.34 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 161.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -121.99 110.74 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.637 ' OG ' ' NH1' ' A' ' 32' ' ' ARG . 62.9 m -94.8 116.48 28.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.9 p -116.95 130.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -99.0 102.05 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -128.27 125.68 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.236 167.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.54 23.07 44.58 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -172.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 62.56 17.47 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.02 134.29 38.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 64.8 t -85.49 123.3 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 -170.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -94.58 161.03 14.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.158 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -118.14 126.04 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -108.09 165.93 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -115.81 117.74 31.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.216 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.04 102.45 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 mt -110.68 148.39 32.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -162.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.53 138.04 36.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 166.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -89.5 -170.45 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -13.76 63.28 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.89 -14.52 41.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.39 9.83 78.53 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -166.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -89.27 138.89 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -88.51 136.3 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -146.23 168.88 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 173.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.549 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.96 -60.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -93.8 -96.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -171.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.0 -15.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -177.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.74 135.99 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.208 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -112.57 134.64 53.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -115.94 -171.56 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.68 -26.92 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -156.98 154.49 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.258 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -46.51 -36.7 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 166.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.94 -7.2 51.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -98.77 -40.02 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.535 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -72.37 -28.13 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.256 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.97 -25.97 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.38 -42.82 53.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -53.5 -46.21 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -91.34 22.46 3.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.23 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -96.38 -50.77 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 164.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -73.63 -20.74 60.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.0 m -130.78 144.45 51.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -57.6 162.41 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.176 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.31 -16.19 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.247 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -164.7 156.78 15.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.09 -20.88 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 172.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -112.84 -40.93 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.11 93.69 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.214 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -77.73 75.96 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -164.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.499 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.9 mm -114.8 142.89 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 172.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.08 151.11 40.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 161.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -108.13 94.04 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -107.88 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.31 129.03 92.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.29 172.83 15.52 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.718 1.612 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -64.99 134.92 96.21 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.28 -9.71 20.49 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.644 1.562 . . . . 0.0 111.205 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -64.01 141.26 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 48.82 -105.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -126.08 15.8 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.23 -172.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.4 -128.94 45.57 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -84.3 59.07 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.176 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.6 tt -68.23 139.68 92.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 168.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -67.51 146.88 75.72 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.146 171.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -55.87 -35.26 66.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.32 -64.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 171.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.92 -38.85 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -168.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.24 -43.92 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -175.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -69.97 -38.13 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.99 -45.77 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.9 mtm -65.65 -37.28 86.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' GLN . 72.7 mt -66.57 -29.12 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.04 -20.49 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.02 -39.31 79.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.221 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.4 tp-100 -69.21 145.59 53.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 162.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.73 -17.11 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -58.91 124.91 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -83.43 139.98 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 173.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.91 -20.66 38.08 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -62.46 156.43 22.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -149.7 158.23 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -124.6 112.62 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 170.217 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -90.95 131.03 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.41 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.9 ptt-85 -144.17 159.58 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -172.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.73 136.3 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -70.82 137.39 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.232 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -82.05 -32.22 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -71.64 -34.78 70.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.34 79.7 73.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.56 140.12 65.51 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.745 1.63 . . . . 0.0 111.241 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.02 -35.11 5.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -91.2 160.83 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.236 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -114.13 154.72 27.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.232 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -109.43 155.03 21.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 157.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -122.56 108.47 13.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.234 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 m -99.8 109.07 21.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.222 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -103.89 124.46 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -169.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ALA . 3.0 tptm -88.53 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -129.75 121.33 26.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.43 35.56 6.53 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.13 27.67 15.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.143 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -156.91 171.45 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 39.8 t -118.09 132.33 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -109.32 143.84 38.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.205 170.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.501 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.3 t-80 -102.94 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.18 -176.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.4 m-30 -107.83 164.64 12.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 175.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -113.8 117.86 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.7 t -108.46 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -114.91 144.99 42.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -163.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -77.37 145.16 37.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 50.1 p30 -93.85 -170.06 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 165.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.21 -9.53 72.43 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.93 46.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.79 69.38 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.91 147.39 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -97.57 141.16 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -163.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -144.19 171.65 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.229 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.523 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.76 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD2' HD22 ' A' ' 66' ' ' LEU . 98.9 m95 -89.96 -97.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -166.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.3 -58.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.45 137.64 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 161.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -128.23 144.36 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -120.08 -174.68 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -62.23 -23.72 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 -167.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -153.99 161.84 41.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.217 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.7 tp -52.85 -47.78 67.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.222 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.52 -28.2 68.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -78.72 -43.27 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.9 pp -74.79 -29.78 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -171.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.12 -23.74 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.34 -40.85 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 172.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 167.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -84.3 12.05 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.191 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -90.39 -47.71 7.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 164.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 m -67.68 -38.95 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -119.93 137.19 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -55.95 148.42 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.225 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 m -69.93 -19.75 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 t -154.74 155.33 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.28 -12.88 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.33 -32.93 5.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -107.83 93.56 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -75.53 80.27 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -170.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.585 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.3 mm -109.83 129.96 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.21 110.57 15.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.83 77.17 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -89.2 150.58 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 176.211 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mtp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.41 130.55 94.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.85 155.43 53.48 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.706 1.604 . . . . 0.0 111.208 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -60.07 133.82 90.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.49 68.25 8.18 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.759 1.64 . . . . 0.0 111.141 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -149.56 148.16 29.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.8 t80 60.94 -121.57 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.4 0.08 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.222 172.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.37 -122.76 25.47 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -78.9 67.36 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 111.175 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tt -77.44 136.18 64.63 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -71.32 146.88 51.86 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.592 . . . . 0.0 111.215 169.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -57.39 -34.0 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -35.62 -53.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 170.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -85.39 -41.15 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -61.02 -45.37 95.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.08 -39.17 89.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.57 -47.99 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 mtm -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 93.8 mt -73.54 -33.96 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 -18.79 58.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.79 -37.2 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 166.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.527 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 93.4 mm-40 -67.99 138.16 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 165.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -116.69 39.73 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 36.4 p-80 -136.13 115.89 13.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.227 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.49 136.22 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.46 -25.08 8.81 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.22 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -148.48 159.01 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.0 tt -133.8 128.2 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -103.62 127.43 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -143.05 163.59 32.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -77.07 137.51 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.3 t -85.33 118.29 24.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.28 -32.6 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.2 p -78.43 -10.0 59.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.4 71.97 6.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -53.98 139.6 70.08 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.675 1.583 . . . . 0.0 111.245 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.25 -31.13 8.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -173.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.51 156.21 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -110.98 156.76 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -172.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -113.68 154.37 27.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 163.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -122.89 112.53 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -101.67 109.55 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.473 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.5 p -110.33 122.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -169.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 3.4 tmtt? -88.65 84.13 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -177.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -111.13 136.63 49.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.47 34.86 56.75 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.7 t30 57.62 31.59 20.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.19 160.53 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 100.0 t -109.35 121.63 62.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -169.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -105.7 149.83 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.248 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -106.36 122.93 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.7 m-30 -106.74 154.83 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.28 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -93.88 133.2 37.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.45 103.04 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 173.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -109.85 145.07 37.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -165.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -76.2 142.03 41.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.253 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 49.6 p30 -91.42 -169.02 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 170.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.56 -15.54 64.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.42 -10.99 53.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.227 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.47 71.96 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.52 145.4 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.22 141.53 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -165.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -144.95 159.28 43.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 167.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.427 HD22 ' CD1' ' A' ' 67' ' ' TRP . 3.6 tt -102.38 -70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD1' HD22 ' A' ' 66' ' ' LEU . 19.3 m95 -102.14 -87.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.32 -35.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 137.83 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -132.53 127.43 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 -176.066 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -119.08 179.72 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 168.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.0 -22.13 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.3 p -150.76 157.87 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.4 tp -52.05 -42.07 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -57.59 -36.92 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.67 -37.93 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -83.05 -21.13 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -170.265 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.41 -20.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.17 -39.55 68.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 166.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.1 -49.22 77.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 167.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -77.6 4.27 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -88.12 -50.46 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -71.55 -34.92 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.5 m -119.83 141.01 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.1 p -59.57 152.77 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.03 -12.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.227 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -153.2 152.1 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.5 -22.89 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -110.03 -32.18 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -109.45 94.0 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.15 68.72 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 -168.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.401 ' CG2' HG21 ' A' ' 45' ' ' VAL . 59.7 mt -102.84 137.97 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.74 151.58 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 mt -103.02 89.9 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -110.99 143.72 41.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.25 -168.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -179.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.757 0.313 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.79 147.46 81.1 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.9 171.93 17.33 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.675 1.584 . . . . 0.0 111.081 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -68.43 134.57 90.9 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -79.58 -9.06 14.83 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.662 1.575 . . . . 0.0 111.176 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -59.42 137.89 57.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -174.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 53.75 -99.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.15 12.63 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -173.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.37 -125.77 38.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.64 55.81 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 111.231 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 8.9 tt -69.99 139.31 87.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -68.09 146.87 72.03 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.785 1.656 . . . . 0.0 111.132 170.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -55.98 -34.56 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.23 -63.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 171.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.56 -39.11 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -169.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -38.63 90.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -174.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -73.28 -40.9 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.76 -46.09 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.4 mtm -60.55 -41.9 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.242 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.414 HD13 ' HB2' ' A' ' 46' ' ' LYS . 89.4 mt -65.85 -34.98 79.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.8 p -78.75 -12.91 60.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.93 -33.02 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 165.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.25 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 50.01 49.96 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -128.33 99.09 5.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 94.7 m-20 -60.01 132.61 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -34.37 5.84 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -66.45 151.35 47.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.181 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.73 165.02 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -130.33 120.53 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 170.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.8 mt -97.88 131.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.0 ptt-85 -145.05 164.09 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -93.73 135.14 35.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 174.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 t -70.38 142.25 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -88.62 -8.05 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -100.29 -28.8 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.22 76.88 68.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.24 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.25 139.44 63.47 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.684 1.589 . . . . 0.0 111.219 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.28 -26.32 24.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -98.89 151.96 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -109.52 159.58 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -118.81 153.07 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 164.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -122.5 110.01 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 m -99.71 110.07 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.535 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -103.11 123.43 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -171.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 11.8 tptt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.273 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -129.82 130.15 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 172.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 50' ' ' ASP . . . 78.57 27.1 57.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 61.49 7.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' A' ' 48' ' ' GLY . 21.9 t0 -112.08 170.04 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 167.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.8 t -119.0 128.63 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -110.01 144.65 38.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.254 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.523 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -102.92 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -173.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -105.37 149.33 26.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -93.91 119.97 33.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.43 106.46 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.38 144.39 39.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -158.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -65.77 139.46 58.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.79 173.56 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 -16.88 61.9 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.28 59.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.96 88.77 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -82.93 168.86 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.21 143.66 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -144.74 169.8 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.84 -63.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -88.4 172.97 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.235 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.25 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 162.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.4 t -79.52 123.74 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 163.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -139.27 141.0 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.1 -167.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -58.0 -25.63 61.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -170.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.6 p -156.47 163.49 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 tp -51.69 -44.04 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 170.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.91 -36.2 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -70.44 -44.36 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -75.5 -30.15 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.08 -26.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 175.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.92 -41.66 64.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.01 -49.15 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 168.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -84.11 10.72 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -87.79 -45.64 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.3 p -81.8 -21.2 37.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.8 m -132.39 142.35 49.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.9 p -62.49 156.62 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.42 -13.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -160.99 155.55 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.37 -25.7 62.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -113.87 -40.42 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.19 70.2 2.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -82.08 66.81 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -156.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.535 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.9 mm -79.35 141.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.249 171.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -116.27 148.81 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -110.91 105.46 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.51 152.13 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.533 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.848 0.356 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.54 129.25 94.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -76.22 168.0 24.8 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.171 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -68.74 137.96 90.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.49 -11.72 20.6 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.7 1.6 . . . . 0.0 111.191 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.19 138.94 57.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 52.37 -99.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.246 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.405 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 90.6 m-85 -133.1 9.68 4.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -171.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.44 -128.02 45.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.16 60.69 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 111.217 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.411 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.5 tt -69.89 139.52 88.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 167.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.6 Cg_endo -67.13 146.05 75.18 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.622 1.548 . . . . 0.0 111.253 170.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.85 -34.39 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.59 -65.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -70.19 -38.85 75.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.225 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.429 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.51 -40.77 95.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -72.33 -40.23 67.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.88 -46.9 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 56.6 mtm -61.21 -44.12 97.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.5 mt -62.31 -36.47 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.3 p -75.63 -3.34 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.02 -24.25 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 170.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -70.6 -40.52 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 60.07 26.87 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -104.15 94.8 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.52 128.75 35.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.12 -23.81 29.64 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.45 162.3 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.165 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -155.46 156.94 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -123.71 118.71 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 174.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.4 mt -99.1 130.05 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -143.55 164.63 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -91.7 135.03 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -68.46 141.62 55.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -85.86 -31.69 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -80.58 -22.25 40.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.79 75.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.94 139.81 69.59 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.697 1.598 . . . . 0.0 111.243 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.99 -22.02 43.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -102.26 153.8 19.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 111.238 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -172.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 m -124.5 153.2 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 166.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.97 111.25 16.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -99.73 111.57 23.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.544 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -102.31 125.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 -167.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.3 tptp -77.55 85.31 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CD2' HG12 ' A' ' 92' ' ' ILE . 8.3 t80 -112.62 120.39 41.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.47 -136.59 39.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -169.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.54 21.38 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.04 176.0 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.248 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.417 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 t -124.59 125.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.98 167.75 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 174.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.568 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -129.51 115.15 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -172.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -96.77 141.5 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -81.64 120.66 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.0 92.3 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -107.21 150.07 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -158.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -76.88 136.57 38.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 168.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -90.77 -168.58 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.34 -16.78 63.16 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.09 -12.19 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.273 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.84 13.93 76.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -165.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.38 143.68 27.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.26 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -86.58 136.98 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -140.87 160.06 40.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 171.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 7.2 tt -122.08 120.0 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 27.4 m95 55.23 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.36 -10.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.03 139.51 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.243 -168.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -149.53 139.87 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.87 -164.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -55.45 -28.06 52.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.13 153.58 29.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' ' 74' ' ' LEU . 6.9 tt -57.53 -28.25 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.199 173.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -59.44 -19.65 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.23 -31.61 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.275 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -79.79 -25.04 41.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.36 -27.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.62 -41.06 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -56.01 -48.41 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 167.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -82.29 8.86 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -94.22 -50.02 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -69.57 -37.55 77.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -117.99 139.32 51.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.1 p -59.97 153.22 21.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.56 -28.37 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -157.26 158.12 35.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.12 -26.6 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -99.7 0.08 41.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -139.12 101.36 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.44 67.89 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 -173.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.544 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.4 mt -117.67 125.35 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -174.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -122.83 109.95 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.65 81.26 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -170.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -77.99 148.11 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.172 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.09 144.47 98.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.62 160.34 41.38 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.689 1.592 . . . . 0.0 111.243 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -44.36 116.78 2.68 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.6 54.72 3.21 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.728 1.619 . . . . 0.0 111.162 -168.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -140.34 149.43 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.217 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 48.99 -105.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -114.21 -2.14 13.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -172.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.48 -118.91 12.67 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -81.95 65.78 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 7.9 tt -70.05 139.92 88.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 172.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.412 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.0 Cg_endo -67.67 148.4 77.75 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.701 1.601 . . . . 0.0 111.173 169.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -56.01 -35.45 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -71.49 -38.33 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -168.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.97 95.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.7 -40.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.44 -47.14 82.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mtm -60.46 -45.52 93.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 90.8 mt -62.82 -36.95 84.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.4 p -71.82 -7.44 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -99.54 -24.95 14.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.07 -41.32 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 60.1 26.51 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -102.95 95.15 5.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.38 128.3 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.82 -29.66 11.39 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.54 152.22 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -146.48 155.95 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -171.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.46 113.62 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -94.01 128.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CB ' HG22 ' A' ' 11' ' ' ILE . 40.7 ptt85 -141.42 156.58 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -88.14 136.32 33.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.238 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -71.24 141.76 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.188 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -82.56 -33.37 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -79.59 -22.41 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.63 75.5 43.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.08 139.78 70.92 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.788 1.659 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.54 -20.55 50.26 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -106.06 155.48 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -120.01 154.53 34.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 m -113.85 156.9 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 164.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.49 111.08 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -101.44 109.51 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -107.01 125.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.264 -167.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 24.5 tptp -82.64 86.62 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -102.24 126.71 49.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.99 -131.78 45.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -171.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.56 2.99 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -113.77 171.1 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.19 123.77 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 172.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -96.77 148.5 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.466 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 3.4 t-80 -110.04 118.26 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -103.44 154.08 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -100.58 126.15 47.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.71 95.06 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.9 mt -110.02 151.04 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -159.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -78.48 137.19 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -90.93 -168.96 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.219 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.28 -15.77 63.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -175.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.32 -12.56 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.686 0.279 . . . . 0.0 111.139 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.23 12.87 78.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -165.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -94.95 141.29 28.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -89.01 135.59 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -170.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -141.21 161.92 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.232 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 6.7 tt -120.82 121.14 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 24.4 m95 56.19 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -169.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.7 -6.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.23 135.59 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -167.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -133.53 129.93 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.74 -173.51 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 170.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -55.74 -26.28 44.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.0 t -155.22 151.0 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.66 -33.36 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 167.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.37 -7.85 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -101.74 -43.87 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.3 pp -67.44 -21.02 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.45 -26.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.02 -38.47 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -55.86 -48.55 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 167.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -78.13 1.67 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 -88.16 -47.15 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.4 p -83.03 -20.96 34.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.4 m -130.77 140.84 50.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.0 p -61.38 150.12 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.72 -23.74 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.266 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 t -149.42 153.73 37.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -172.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.84 -25.26 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -106.96 -34.26 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -174.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -107.83 92.58 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -77.64 66.52 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -166.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.407 ' CG2' HG21 ' A' ' 45' ' ' VAL . 53.4 mt -99.87 137.4 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.77 154.11 29.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.209 174.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -106.44 105.59 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.216 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 96' ' ' ASP . 75.2 mtt85 -112.63 160.03 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -173.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 27.0 t0 . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.874 0.369 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.03 129.52 93.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.41 169.45 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.678 1.585 . . . . 0.0 111.226 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -70.32 137.03 86.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.66 -11.46 20.3 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.789 1.659 . . . . 0.0 111.227 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -59.92 136.09 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 51.98 -98.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.42 11.08 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -172.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.46 -131.97 51.25 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.8 62.36 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.258 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.411 HD11 ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -75.73 137.08 70.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.64 147.77 57.95 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.686 1.591 . . . . 0.0 111.196 169.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -61.24 -20.79 63.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.02 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HB2' HD11 ' A' ' 11' ' ' ILE . 23.7 mmmt -90.09 -55.21 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -60.87 -26.96 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -163.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -88.59 -33.88 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -60.62 -37.04 80.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 172.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.3 mtt -63.05 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 mt -85.24 -33.98 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -168.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -70.41 -15.92 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.76 -30.91 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.86 -38.47 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.207 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 59.93 30.59 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 25' ' ' HIS . 3.3 t-160 -100.67 96.78 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.613 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 35.0 p30 -64.12 123.25 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -173.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.04 -19.58 43.19 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 150.41 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.3 tt -130.63 119.36 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.171 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.88 130.18 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -145.41 168.26 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 -170.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -92.11 139.13 30.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.182 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -73.26 140.48 46.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -87.72 -10.49 50.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 100.0 p -97.82 -23.74 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.92 77.54 37.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.196 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.47 138.0 65.64 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.647 1.564 . . . . 0.0 111.202 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.63 -25.58 27.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.71 154.28 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 111.243 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -109.88 159.99 16.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.285 -174.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -120.41 154.89 34.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 164.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tt -121.28 109.97 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -97.81 109.65 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.0 p -107.03 126.07 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -171.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.617 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.6 tptp -89.08 90.83 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.26 175.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -113.85 136.12 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.68 -128.13 37.57 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -105.26 2.25 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -114.05 169.57 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 -173.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.433 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 87.8 t -118.21 126.12 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 168.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.402 ' HB3' HE22 ' A' ' 52' ' ' GLN . 24.3 mt-30 -101.55 149.45 24.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.498 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.3 t-80 -107.49 119.87 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -106.22 147.56 28.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.256 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -93.26 119.98 33.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -105.53 105.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -111.67 147.66 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -159.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -74.36 136.86 42.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -96.37 -173.0 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.212 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.28 -2.61 79.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.28 -12.84 31.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.97 10.59 71.74 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -99.32 162.08 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -142.48 168.2 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -136.83 -60.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CD2' HD22 ' A' ' 66' ' ' LEU . 71.3 m95 -92.18 174.65 7.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.53 -23.78 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 165.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.98 130.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 165.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -134.53 132.53 39.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -123.75 -171.55 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.32 -21.14 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.4 p -153.23 159.76 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.4 tp -51.13 -42.54 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.66 -39.96 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.26 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -75.88 -30.11 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -167.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.71 -26.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.63 -42.7 64.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -53.65 -46.45 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 169.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -90.21 20.88 4.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -92.22 -48.26 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 163.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -79.2 -18.59 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.55 146.58 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.2 p -55.82 158.58 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.08 -26.01 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -163.9 -174.22 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -103.81 -9.47 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.73 4.32 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -171.79 108.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -84.62 62.24 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -169.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.549 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.1 mm -84.66 142.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.76 141.72 50.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.8 mt -107.65 96.18 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.01 150.68 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -171.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.312 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -74.54 145.54 82.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.47 175.6 11.06 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.225 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -65.6 135.89 95.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -76.32 -9.94 19.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.714 1.609 . . . . 0.0 111.141 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -60.89 138.83 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 49.85 -104.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.236 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -128.34 15.01 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 -172.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.82 -128.47 43.15 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.19 59.61 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.705 0.288 . . . . 0.0 111.203 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 9.5 tt -70.08 139.74 87.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 168.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 91.3 Cg_endo -67.62 146.56 73.9 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.623 1.549 . . . . 0.0 111.27 170.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.06 -35.24 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 172.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -63.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.166 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -71.44 -38.81 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -168.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.83 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -174.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -72.52 -39.46 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.69 -45.72 85.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.262 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 99.3 p -72.3 -24.27 61.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.41 -37.49 43.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.701 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.6 tp-100 -66.43 146.6 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 167.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -118.58 48.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -130.31 99.61 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -171.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.73 137.54 54.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 174.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 95.89 -22.17 40.87 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.15 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -144.37 162.75 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -172.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.22 112.41 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 171.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.63 132.74 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 33.9 ptt-85 -145.34 159.73 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -173.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.68 134.21 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 142.21 56.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -84.27 -33.45 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -79.51 -22.22 44.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.245 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.53 76.83 47.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -53.86 139.68 68.85 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.596 1.531 . . . . 0.0 111.229 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.82 -22.29 41.33 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.18 159.7 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.59 156.33 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -170.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -112.82 155.26 24.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 162.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.66 107.41 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -99.56 111.78 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -109.99 127.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -171.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.701 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 43.6 tttt -85.69 99.31 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 171.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -103.93 127.09 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.222 165.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.74 -122.28 27.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.3 5.74 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.184 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -112.65 156.95 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.44 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 48.2 t -112.35 131.97 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.0 142.54 41.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.49 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 2.2 t-80 -103.41 119.42 38.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -104.37 155.83 18.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -100.78 124.81 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -109.58 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.41 150.93 38.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -164.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -86.8 141.54 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -93.41 -171.61 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.69 -5.88 75.49 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.87 -11.75 38.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.215 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 15.43 70.8 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -167.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -102.78 149.17 24.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -97.0 139.63 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.99 169.24 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -135.42 -64.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -92.93 -96.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -138.9 -55.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.71 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.174 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -126.08 129.35 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.62 -174.03 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 173.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -72.03 -16.75 62.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 150.78 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.2 tp -43.62 -40.28 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 167.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.25 -20.94 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -90.21 -41.63 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.445 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -73.95 -29.36 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.6 -25.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -74.18 -40.69 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -55.66 -47.52 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -85.5 12.4 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -89.79 -46.65 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 163.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -66.58 -39.5 88.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -120.07 136.89 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.1 149.54 12.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.13 -18.57 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 t -150.46 152.87 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -171.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.09 -11.32 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 175.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -113.71 -31.78 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -109.6 94.06 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.242 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -75.12 75.5 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 -169.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.448 ' CG2' HG21 ' A' ' 45' ' ' VAL . 46.8 mt -114.31 126.58 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.413 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 13.3 m-85 -117.35 118.22 31.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -76.14 80.46 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.243 -172.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -90.03 156.66 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 176.551 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.823 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.6 128.72 90.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.43 165.01 31.53 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.697 1.598 . . . . 0.0 111.189 -176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -69.96 137.76 87.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.44 -11.61 22.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.741 1.628 . . . . 0.0 111.238 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -60.87 140.04 57.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 51.11 -99.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -175.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CB ' ' HB ' ' A' ' 11' ' ' ILE . 90.4 m-85 -133.78 10.86 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 -170.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.24 -127.56 43.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.52 59.85 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.6 tt -70.0 139.83 88.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 168.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.0 Cg_endo -67.28 146.09 74.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.85 -35.28 66.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 172.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -71.02 -38.62 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -168.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.79 -40.58 95.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.71 -39.96 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.58 -46.99 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.9 mtm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.4 mt -64.72 -39.78 94.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -72.57 -12.27 61.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.26 -25.77 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 168.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.99 -41.74 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 59.92 32.44 21.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.92 94.69 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.9 129.73 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.26 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.67 -28.38 15.16 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.2 157.05 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.22 159.07 44.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -127.09 111.95 14.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.176 171.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.48 129.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.0 ptt-85 -142.3 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -173.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -89.99 135.24 33.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.7 t -68.33 140.85 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -84.62 -30.62 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -82.51 -22.21 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.33 74.88 47.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.77 140.31 67.37 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.741 1.627 . . . . 0.0 111.225 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.25 36.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.08 155.08 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.263 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -109.93 156.42 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 161.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.96 110.42 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 m -101.43 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.566 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.6 p -102.79 124.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -169.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.2 tptp -77.95 86.13 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.246 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.463 ' CD2' HG12 ' A' ' 92' ' ' ILE . 7.4 t80 -113.18 121.16 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.98 -132.49 43.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -167.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -101.7 10.85 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.214 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -131.5 151.34 51.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.0 t -107.15 119.01 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -92.49 151.81 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -110.54 125.8 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' HB3' HD21 ' A' ' 66' ' ' LEU . 13.7 m-30 -110.86 144.44 39.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -84.14 116.76 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.12 107.28 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.232 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -109.85 137.66 47.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -163.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.29 135.89 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 40.7 p30 -95.47 -175.12 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.94 86.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.28 -11.63 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.1 9.78 72.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -166.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -102.5 168.54 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 111.195 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.4 147.44 46.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.19 168.29 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.512 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.6 tt -135.54 -66.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.208 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CD2' HD22 ' A' ' 66' ' ' LEU . 96.8 m95 -91.3 -96.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -167.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.27 -59.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.19 138.27 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 162.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 86.9 tttt -131.88 142.41 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.03 -171.68 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -64.91 -23.32 67.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.228 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.3 p -152.33 161.46 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.8 tp -50.36 -42.77 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.12 -36.81 75.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.24 -42.04 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.7 pp -75.58 -29.21 59.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -171.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.0 m -77.1 -26.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.244 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.46 -40.22 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -57.19 -49.33 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -85.24 16.63 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -93.0 -48.87 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 162.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -73.84 -20.65 60.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.3 m -131.73 144.56 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -58.46 159.13 6.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.87 -27.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -159.43 157.82 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.185 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.65 -26.62 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -97.3 -0.42 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -141.29 98.11 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -79.03 68.27 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.227 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.566 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.8 mt -115.39 122.43 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -119.73 110.34 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.231 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.58 79.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -82.14 159.85 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.37 129.25 93.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -76.61 170.83 19.15 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.666 1.578 . . . . 0.0 111.174 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.89 136.05 89.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.67 -10.26 20.08 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.699 1.599 . . . . 0.0 111.216 175.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -61.7 140.22 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 49.58 -104.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.98 15.36 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.276 -172.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.64 -129.23 44.11 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -82.41 60.11 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.1 tt -70.04 139.74 88.0 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 168.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 96.6 Cg_endo -67.29 146.06 74.24 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.209 170.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.82 -34.8 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 172.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.07 -64.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 171.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -70.8 -38.49 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.234 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -174.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -71.87 -40.26 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.282 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.4 mtm -63.62 -39.35 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.253 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.77 -35.89 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.7 p -78.22 -18.56 55.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.14 -34.49 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 167.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.5 tp-100 -67.84 147.1 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 165.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -119.02 64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -152.51 87.08 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 -168.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -58.18 132.72 54.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 -32.06 7.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -170.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.35 150.99 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.78 161.47 41.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -171.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.62 116.29 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 175.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.5 mt -95.94 131.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -143.94 165.3 28.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -89.31 136.41 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -71.3 139.35 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -83.53 -32.49 25.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 173.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 m -71.5 -35.03 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.3 78.93 73.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.34 140.52 73.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.699 1.599 . . . . 0.0 111.232 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.93 -23.41 36.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -99.07 155.77 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -109.72 155.73 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.244 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -120.09 152.83 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 163.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -124.43 109.99 13.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 m -98.16 114.6 26.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.6 p -110.23 126.32 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.668 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 48.3 tttt -90.57 101.71 14.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 171.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -129.93 120.03 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 166.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.37 7.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.8 t30 59.43 26.1 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.173 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -156.18 158.56 37.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 171.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 52.8 t -108.22 127.72 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -166.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.416 ' HB3' HE22 ' A' ' 52' ' ' GLN . 18.5 mt-30 -101.46 164.41 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.224 166.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -121.78 130.39 53.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -108.42 145.3 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.217 170.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.39 122.26 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.58 109.81 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.93 142.82 48.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -160.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -74.65 137.26 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.1 p30 -94.65 -171.15 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 170.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.68 -5.9 75.53 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -9.49 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.11 15.98 73.25 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -106.81 151.84 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 0.0 111.194 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.65 143.06 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -143.82 171.87 13.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -128.8 125.96 38.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.4 m95 42.98 -109.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.78 17.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.75 134.04 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -131.87 128.26 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -173.72 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.74 -173.75 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 164.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -60.83 -23.15 64.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -173.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -157.28 160.76 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.83 -42.57 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 168.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.58 -34.85 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.12 -44.04 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.0 pp -73.3 -26.83 61.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -171.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -78.2 -27.97 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.213 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.38 -38.42 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 169.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.42 -47.92 78.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.22 166.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -72.06 -6.45 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -85.44 -46.98 10.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.264 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.8 p -81.02 -20.27 42.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -135.97 144.2 45.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -59.58 151.29 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.228 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.84 -41.03 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -150.26 152.37 34.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -169.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.77 -16.09 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -110.67 -31.23 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -111.31 102.29 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.85 75.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -170.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.513 ' CG2' HG21 ' A' ' 45' ' ' VAL . 9.2 mm -113.48 146.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -121.26 152.01 39.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.243 159.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.68 102.33 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -115.91 152.83 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -179.645 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.84 -117.97 12.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -100.62 38.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 111.181 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.8 tt -51.54 139.43 28.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -68.98 147.51 68.07 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.745 1.63 . . . . 0.0 111.164 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.29 -34.72 64.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.235 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.79 -62.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.1 -38.54 72.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.09 -41.41 98.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -173.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -73.86 -38.51 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.59 -46.68 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.219 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 55.3 mtm -60.33 -44.41 95.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 92.9 mt -61.52 -36.73 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.9 p -74.95 -5.6 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.54 -25.6 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.34 -40.23 77.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.191 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 59.97 25.94 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.29 96.25 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.37 131.61 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 -22.41 39.65 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.62 161.84 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 111.192 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -152.55 163.4 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.9 tt -127.97 122.37 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 169.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -99.96 131.0 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 32.4 ptt-85 -145.28 153.27 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -173.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -93.51 143.23 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -83.54 142.23 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -83.06 -28.14 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -78.04 -22.6 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.74 76.22 35.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -54.43 138.86 74.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.695 1.596 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.98 -20.62 50.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.69 156.48 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.3 160.2 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -113.69 153.04 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 164.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -123.21 107.74 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 175.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -100.84 109.23 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.3 p -103.55 125.57 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -167.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 26.3 tptp -81.95 89.78 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -104.01 128.87 51.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.17 -126.01 41.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -109.21 20.21 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.241 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.28 173.12 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.44 133.09 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -108.99 144.39 37.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.627 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.4 t-80 -103.77 119.01 38.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -103.97 150.36 24.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.3 120.06 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.43 108.63 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.27 136.99 52.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -160.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -84.36 133.36 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 28.5 p30 -95.99 -176.58 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.43 -2.29 83.99 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.46 -10.5 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.75 8.21 76.96 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -99.98 170.26 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -117.3 146.45 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.23 166.52 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.584 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -138.31 -56.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.3 m95 -93.86 176.5 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.57 -22.6 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 163.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -80.08 123.93 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.67 129.48 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -173.065 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.88 -176.32 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -62.46 -24.51 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -154.1 159.83 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -49.92 -41.98 47.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 169.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.58 -37.95 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.29 -43.07 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -75.18 -30.13 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -169.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.13 -27.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.94 -41.95 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -55.33 -48.38 74.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -87.67 12.13 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -85.65 -39.46 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 163.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.8 p -85.52 -24.56 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -126.51 138.06 53.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 t -58.21 147.7 29.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.6 -15.85 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -152.97 152.73 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.37 -12.74 53.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.65 -33.91 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.232 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -111.92 97.41 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -72.62 72.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.459 ' CG2' HG21 ' A' ' 45' ' ' VAL . 60.3 mt -115.23 133.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.95 158.18 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.32 104.25 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 173.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -112.67 146.65 38.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.62 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.764 0.316 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.91 -127.8 41.85 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -83.83 60.8 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.248 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.414 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.7 tt -69.97 139.84 88.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 167.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 95.1 Cg_endo -67.23 146.25 75.25 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.719 1.612 . . . . 0.0 111.223 171.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -55.85 -35.17 66.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.31 -64.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.212 171.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -71.08 -38.45 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.218 -168.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.64 -40.38 96.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -72.73 -39.83 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -56.73 -47.62 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.7 mtm -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.95 -36.18 83.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.2 p -77.66 -12.39 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.91 -26.26 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 58.06 36.89 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -119.98 95.4 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 93.8 m-20 -59.09 136.16 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 100.98 -23.11 36.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -173.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 157.39 35.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 111.205 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -147.4 162.92 38.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.226 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -129.23 113.95 15.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 168.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.11 133.21 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.8 ptt-85 -147.1 160.33 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.42 134.32 33.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -67.71 141.58 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.01 -32.27 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -79.76 -21.8 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.8 75.54 49.07 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.24 139.94 72.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.686 1.591 . . . . 0.0 111.165 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.23 -19.18 55.5 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -105.92 158.62 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 111.181 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -110.2 156.67 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -116.34 154.57 29.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 159.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.37 110.48 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.6 m -99.81 110.22 22.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -104.71 121.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -85.16 96.43 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 172.357 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -128.74 122.0 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 88.3 39.36 6.86 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 58.98 22.89 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -154.64 169.22 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 63.0 t -115.23 128.85 72.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -171.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.87 150.03 23.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -110.74 127.04 55.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -111.32 152.21 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -91.74 127.77 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.98 112.03 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.05 159.67 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -163.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -92.81 134.62 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -90.4 -170.01 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -16.3 64.38 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.04 -10.51 54.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.29 81.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -168.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -97.38 147.75 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 111.238 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -83.82 139.97 32.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.238 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -147.14 168.81 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.268 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.2 tt -134.19 -61.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.4 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.5 m95 -88.4 174.05 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.14 -23.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 164.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.88 130.56 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 166.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.0 tptm -133.2 134.58 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -172.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -129.2 -169.0 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -65.89 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -169.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -154.98 161.54 41.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -48.28 67.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.74 -35.26 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.204 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.21 -45.59 66.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.8 -30.14 61.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -170.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.71 -24.74 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -40.14 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 170.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -55.7 -47.81 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 167.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -86.34 14.8 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -89.89 -44.88 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 164.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -76.64 -21.47 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -134.37 142.8 47.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -49.83 156.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.5 m -73.42 -19.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -162.24 156.52 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.58 -17.27 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -113.14 -40.84 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -93.73 95.75 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.63 75.45 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -165.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 8.6 mm -120.01 140.03 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.78 149.86 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 162.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.5 mt -110.04 105.65 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 172.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 27' ' ' GLY . 79.5 mtt180 -124.0 161.76 24.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -173.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.232 177.842 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 -129.64 43.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.57 60.87 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.7 tt -69.41 139.37 89.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 168.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -66.8 145.5 75.2 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.7 1.6 . . . . 0.0 111.149 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.81 -35.21 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.37 -65.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -71.14 -38.76 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.36 -39.99 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.232 -174.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -71.67 -39.37 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.5 -37.72 68.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.186 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.409 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.6 mtt -64.78 -54.21 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.48 -34.4 78.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.6 p -75.46 -9.3 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -98.78 -24.46 15.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -68.02 -35.65 78.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 59.78 29.9 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.45 92.64 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.29 135.16 57.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 105.17 -26.5 21.81 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -172.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 158.41 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.155 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -148.49 161.36 41.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -128.55 113.08 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 169.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.91 132.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -145.81 164.44 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -173.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -83.41 139.41 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -82.78 113.31 20.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.05 -32.92 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -78.95 -9.72 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.55 72.45 9.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -55.27 140.6 81.68 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.734 1.623 . . . . 0.0 111.23 -173.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.53 -36.64 4.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -88.67 159.37 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.16 154.8 20.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.15 109.91 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -98.58 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 13.0 p -103.03 124.43 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -172.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.1 tptp -88.71 94.7 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -129.67 130.67 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.79 38.22 17.04 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 60.02 27.28 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -156.79 172.42 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.269 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 80.1 t -118.28 129.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -106.19 149.97 26.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -107.36 126.9 53.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.41 147.65 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.01 121.58 32.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -104.88 106.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.72 140.63 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -161.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -78.11 137.78 38.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -91.07 -170.4 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 172.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.17 -13.95 65.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.98 -11.03 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 16.67 71.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -168.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.72 146.62 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.187 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -167.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -141.67 166.02 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 171.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.9 tt -135.06 -63.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.54 -97.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -169.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.0 t -139.19 -56.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.15 141.1 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.6 tptm -124.23 128.33 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -117.26 -178.45 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.8 -22.45 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -151.13 149.46 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.1 tp -44.43 -40.85 5.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 168.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.51 -40.75 9.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.63 -29.28 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.246 -175.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.86 -25.56 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.51 -42.12 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -53.13 -46.63 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -88.88 18.71 4.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -93.99 -47.83 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 164.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.0 p -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.7 m -132.88 145.91 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 p -56.65 163.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.85 -14.44 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -167.4 158.98 12.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.42 -23.29 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.68 -41.41 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.232 -173.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -91.72 95.41 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -76.73 76.51 3.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -120.07 140.0 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.6 148.59 40.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 163.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.57 105.83 15.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.206 173.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' GLY . 99.6 mtt180 -123.23 161.33 24.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.341 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.73 -126.84 8.46 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 84.2 tttt -83.13 52.17 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.444 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 12.3 tt -58.06 137.29 84.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 163.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 147.39 78.11 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.654 1.569 . . . . 0.0 111.136 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.8 -37.27 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.23 -65.99 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -71.13 -37.68 72.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -169.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.2 -42.9 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.266 -174.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -71.99 -37.74 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.17 -45.84 79.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 11' ' ' ILE . 54.0 mtm -65.01 -38.24 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.7 mt -65.37 -36.14 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.7 p -74.98 -19.83 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.71 -30.45 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 166.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -90.44 84.27 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.58 67.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 -170.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -130.04 95.79 4.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.69 133.05 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 100.43 -24.86 30.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.72 161.61 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -150.36 159.1 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.4 tt -124.25 110.9 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 169.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -90.34 132.05 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 35.6 ptt-85 -146.23 164.94 30.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -170.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -71.29 134.14 46.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -57.21 140.53 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.194 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.68 -20.04 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.3 p -104.64 -22.8 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.76 81.64 14.63 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.183 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.41 138.67 56.36 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.737 1.625 . . . . 0.0 111.217 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.19 -22.92 31.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.72 164.21 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.57 165.36 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 m -123.62 152.93 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 166.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.94 105.93 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -100.45 110.98 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.5 p -104.45 123.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 -166.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.7 tptm -82.15 90.61 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -103.95 127.6 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.13 -126.37 42.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -170.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.76 -1.55 32.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -108.82 165.49 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.9 t -121.59 132.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.92 147.69 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -104.19 128.47 51.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.3 m-30 -111.56 146.42 37.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -87.57 121.41 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -110.17 112.09 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.03 143.23 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 -159.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -78.91 131.0 36.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -93.92 -172.93 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.81 -4.03 81.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -172.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.09 -9.29 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.316 . . . . 0.0 111.193 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 13.22 76.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -106.11 157.6 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -99.77 139.56 35.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -139.99 171.98 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 174.118 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.7 tt -135.81 -62.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.483 ' CD2' HD22 ' A' ' 66' ' ' LEU . 80.5 m95 -91.41 173.79 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.4 -23.39 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 162.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.75 128.72 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 165.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -133.59 132.82 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 -173.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.65 -170.17 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -63.85 -24.77 67.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -170.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.8 p -156.36 162.17 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.04 -48.62 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.94 -31.18 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.77 -45.0 38.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -75.05 -30.24 60.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.235 -169.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.66 -23.72 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.05 -40.96 64.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.9 -47.99 76.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.261 167.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -85.53 11.9 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -88.89 -41.34 12.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 162.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -69.71 -39.54 76.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.5 m -119.76 136.52 54.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 t -57.45 147.04 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.425 ' HB ' ' CZ2' ' A' ' 67' ' ' TRP . 34.0 m -77.08 -14.01 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -137.5 148.49 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.21 -3.22 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -109.71 -30.69 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.252 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -123.83 133.23 53.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.17 73.03 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 45' ' ' VAL . 28.1 mt -109.02 115.49 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 32.9 m-85 -117.23 118.09 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 mt -71.0 78.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -171.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -87.1 158.26 19.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.215 176.053 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.849 0.357 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.33 -126.08 35.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 84.6 tttt -83.47 54.83 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.293 . . . . 0.0 111.157 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.4 tt -70.01 139.79 88.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 172.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 92.4 Cg_endo -67.46 148.25 78.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.72 1.613 . . . . 0.0 111.181 170.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -56.59 -35.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -64.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.217 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -168.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.16 -39.51 92.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -71.85 -40.4 69.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.239 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.97 -42.05 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.426 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.7 mtt -58.44 -47.32 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.0 mt -74.53 -37.43 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -171.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -66.55 -23.34 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -87.64 -32.49 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.53 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 56.33 40.22 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -115.66 90.68 3.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -53.9 127.32 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.78 -25.54 25.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.77 148.62 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -143.66 157.22 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.0 tt -127.83 114.5 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.2 129.19 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -141.75 166.29 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -88.14 135.52 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -61.1 140.45 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -83.57 -13.01 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.9 p -109.67 -22.31 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.94 75.78 47.62 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.92 140.27 58.79 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.218 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.47 -21.98 40.61 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -104.52 156.46 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -105.24 155.37 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -119.03 151.44 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.245 160.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 3.5 tt -122.41 112.09 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 175.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.2 p -107.9 127.69 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -172.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 15.4 tptp -89.78 88.97 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -105.35 132.17 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.22 -123.75 31.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -168.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -113.9 11.27 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -135.81 129.01 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.94 130.75 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -108.0 146.21 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.02 124.2 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.263 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 12.8 m-30 -106.38 137.85 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 175.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -72.49 126.38 29.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.84 110.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 171.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 mt -109.94 141.97 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 -163.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -79.87 134.37 36.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 41.1 p30 -94.29 -174.75 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.217 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.81 -1.04 86.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.46 43.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 111.145 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.9 10.53 72.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -167.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -108.27 176.2 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 111.22 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -125.18 144.52 50.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -138.25 169.22 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.43 -67.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CE2' HD22 ' A' ' 66' ' ' LEU . 93.6 m95 -91.83 -91.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -172.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.85 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.261 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.43 138.65 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 167.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 12.1 ttpt -139.81 140.51 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 175.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.29 -166.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.71 -20.12 54.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -174.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.9 t -154.39 149.4 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp -44.0 -38.11 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 165.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -74.33 -3.86 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.219 -172.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -103.85 -38.19 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -72.12 -26.99 62.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.82 -25.53 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 172.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.77 -42.09 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 171.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -53.54 -47.05 70.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -90.16 20.35 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -93.95 -48.39 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 164.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.5 p -76.07 -21.38 56.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.233 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -129.96 142.92 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 p -60.31 162.9 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.44 -14.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -157.57 154.54 28.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -174.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.51 -23.25 58.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -112.41 -40.98 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.269 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -96.16 69.81 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.01 65.9 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -159.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' CG2' HG21 ' A' ' 45' ' ' VAL . 63.2 mt -94.51 140.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -113.93 149.39 35.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.77 90.59 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -103.4 165.2 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -171.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 171.101 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.772 0.32 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -39.37 -56.84 2.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 46.7 tptt -111.03 47.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.212 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 tt -74.88 139.9 73.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 164.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 90.3 Cg_endo -68.89 149.17 72.05 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.75 1.633 . . . . 0.0 111.151 169.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.9 -35.38 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.223 171.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.51 -63.17 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -71.34 -38.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -168.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.99 95.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -70.43 -38.5 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.82 -46.18 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.42 ' CE ' HD11 ' A' ' 11' ' ' ILE . 58.5 mtm -63.83 -38.73 92.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.8 mt -66.63 -31.22 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -83.05 -24.9 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.84 -38.68 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 164.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.7 tp-100 -70.4 145.62 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 164.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.88 -12.82 10.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.82 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -51.57 139.53 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.1 -35.7 4.88 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 153.57 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -146.67 161.63 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -172.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.59 115.73 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.9 mt -92.23 132.38 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 25.1 ptt-85 -147.44 163.83 35.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.3 137.42 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.243 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -58.5 141.34 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.64 -1.47 57.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -116.93 -24.87 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.4 79.46 25.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.242 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.21 140.5 51.38 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.625 1.55 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.99 -34.7 5.41 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -96.96 156.39 16.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.181 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -110.92 159.94 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -118.6 152.73 35.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 165.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -121.72 111.19 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -98.9 110.4 23.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.8 p -104.88 123.82 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -171.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 4.4 tptm -86.13 93.55 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.272 175.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -129.99 129.65 44.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 36.33 20.2 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 61.02 20.72 11.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -148.87 173.99 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.5 t -118.8 124.53 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.264 -174.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -96.37 147.96 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.522 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -109.98 118.49 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -105.51 150.75 25.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -90.6 123.41 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.92 106.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.98 146.5 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 -164.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -77.93 140.75 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 173.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.8 p30 -92.91 -170.67 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 169.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.74 68.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -11.28 46.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 111.197 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.24 16.72 71.01 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -168.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -104.14 146.65 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -91.96 140.7 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -168.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -144.01 167.23 22.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -134.18 -63.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -91.05 -97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.29 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.87 -56.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.8 140.61 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 170.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.7 tptm -124.14 128.09 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -116.55 -172.26 2.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.34 -26.18 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.6 p -158.22 162.8 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -47.6 -41.6 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.228 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.22 -23.06 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -87.13 -42.96 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -74.08 -29.43 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -172.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.36 -25.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -74.33 -40.25 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.0 -47.33 74.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 167.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -86.72 15.32 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -90.83 -48.65 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 164.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.9 p -75.82 -20.39 58.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.0 m -132.62 145.66 51.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 p -57.15 163.65 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.34 -13.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -167.02 159.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.255 -171.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.93 -20.58 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 171.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -113.32 -40.12 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -92.84 94.81 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -77.71 75.68 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 -165.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.542 ' CG2' HG21 ' A' ' 45' ' ' VAL . 6.7 mm -116.92 142.09 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 170.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -119.34 148.73 42.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 163.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -107.82 95.68 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.246 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -114.23 170.51 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -171.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 -178.873 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.89 -122.18 29.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -91.83 54.29 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 111.231 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 19' ' ' MET . 10.3 tt -65.62 139.78 97.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.217 173.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -67.95 147.44 74.21 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.739 1.626 . . . . 0.0 111.197 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -56.6 -34.64 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.63 -63.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -71.01 -39.36 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.267 -170.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -63.65 -31.84 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.245 -173.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -76.19 -47.17 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.91 -40.84 70.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 11' ' ' ILE . 47.4 mtm -64.85 -27.53 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 -174.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.0 mt -86.61 -34.05 19.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -73.28 -16.85 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -91.92 -28.43 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -65.55 -36.84 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 60.3 36.29 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -123.47 90.83 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 1.7 m-20 -61.38 132.23 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.53 -31.07 8.14 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 150.04 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -146.13 165.98 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.254 -173.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -133.75 128.3 34.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -104.94 129.99 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.1 ptt-85 -144.24 156.47 44.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -173.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -90.82 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -76.21 142.07 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.08 -17.74 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -91.22 -22.43 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.3 76.71 37.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.41 138.36 65.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.713 1.609 . . . . 0.0 111.256 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.38 -20.41 50.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -107.97 156.01 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -121.0 156.59 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -113.65 152.13 30.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 164.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -121.07 111.58 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 m -99.78 109.69 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.259 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.6 p -109.56 124.11 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -173.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.7 tmtt? -91.83 90.68 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -127.15 126.28 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.71 34.26 7.02 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 t30 59.12 27.05 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.149 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -159.02 169.93 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.165 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 96.5 t -113.58 124.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -94.55 148.02 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.618 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.1 t-80 -108.02 121.06 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.6 m-30 -105.55 148.5 27.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.209 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -88.65 126.92 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -108.54 117.94 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.4 144.49 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -159.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -83.15 138.77 33.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 45.8 p30 -91.7 -168.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.12 -16.73 64.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.95 -10.29 53.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.188 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.62 71.87 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -166.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -103.51 150.24 24.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -93.76 138.17 32.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -163.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.65 170.96 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.5 tt -136.54 -62.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -89.06 -103.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -166.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.56 -11.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.61 134.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -105.7 133.96 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -122.37 -173.98 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.8 -24.62 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -156.3 161.83 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.2 tp -53.05 -47.05 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.97 -33.11 70.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.254 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -73.57 -44.88 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -74.54 -28.4 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.35 -25.25 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.47 -39.75 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 170.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.04 -47.33 78.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.241 167.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 77' ' ' LEU . 66.8 m80 -82.1 9.6 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -90.18 -48.15 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.3 p -77.08 -21.52 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.95 141.6 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.166 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.3 p -60.01 157.93 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.96 -13.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -167.92 175.07 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -171.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -99.26 -13.43 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 170.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.51 -37.72 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.62 84.41 5.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -75.65 77.15 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -165.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.534 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -115.29 142.73 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 171.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -120.59 148.37 43.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 161.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.87 96.25 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -112.63 157.28 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 178.065 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.442 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 20.2 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.06 -131.04 41.25 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -80.21 54.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 111.223 176.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 13.2 tt -67.1 138.47 94.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -69.17 152.28 72.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.684 1.589 . . . . 0.0 111.191 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.89 -36.79 68.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 171.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.8 -63.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -70.5 -38.71 74.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -170.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.3 -38.94 91.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.243 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.64 -40.66 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.93 -46.99 78.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.401 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.0 mtm -63.31 -39.6 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.86 -35.39 80.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.0 p -76.8 -11.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.26 -27.09 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -73.27 -43.07 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 53.78 29.95 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.21 96.11 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 28.3 t0 -58.56 122.34 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 -177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.99 -27.82 12.23 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 159.65 21.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 111.245 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -148.09 157.55 43.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.7 tt -124.28 113.49 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 169.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -90.68 130.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.2 ptt85 -144.87 166.84 24.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -88.96 136.22 33.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -66.31 142.22 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -82.3 -32.48 29.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.4 p -85.23 -22.78 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.25 76.23 44.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.28 140.68 61.75 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.726 1.618 . . . . 0.0 111.157 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.12 -25.07 29.69 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.41 155.7 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -110.93 154.54 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -114.92 156.35 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 167.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 4.6 tt -125.56 108.32 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -100.36 108.65 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -104.99 125.92 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -169.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 49' ' ' ASN . 11.0 tppt? -85.98 92.98 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.184 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -102.9 128.42 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 61.2 -118.61 15.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -163.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.7 m-80 -114.61 2.98 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -110.69 158.75 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 60.7 t -110.42 132.67 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -109.23 147.2 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -105.39 120.86 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 66' ' ' LEU . 10.2 m-30 -103.22 165.09 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 172.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -116.78 116.33 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.93 98.14 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -102.84 144.65 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -160.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -88.8 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.21 171.92 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.28 -16.65 54.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.84 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.221 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.73 -3.79 86.01 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -77.49 144.25 37.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.09 140.62 37.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -146.9 166.8 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.197 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -128.18 -62.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -96.59 -91.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -135.43 -61.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.14 137.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -126.62 127.42 45.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -107.5 -176.09 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.04 -24.33 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 t -152.06 150.94 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.2 tp -47.15 -35.75 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 168.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.64 -9.38 58.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -173.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -98.22 -39.84 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.1 pp -72.22 -27.48 62.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -177.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -72.82 -26.04 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -74.57 -41.51 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 168.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.01 16.39 8.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -91.16 -45.5 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 163.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.1 m -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.9 m -119.83 136.13 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.34 149.16 13.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.7 -18.31 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.0 t -147.5 149.59 32.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.19 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.73 -19.51 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -106.22 -32.85 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.08 97.29 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.07 74.98 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -169.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.491 ' CG2' HG21 ' A' ' 45' ' ' VAL . 54.6 mt -114.27 122.88 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -116.58 116.3 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.71 80.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -170.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -83.79 152.69 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 173.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.96 27.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.65 56.13 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 111.167 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.0 tt -68.64 139.72 91.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 173.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.9 Cg_endo -68.21 147.11 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.626 1.551 . . . . 0.0 111.227 170.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.08 -34.87 66.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 171.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.16 0.7 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -70.8 -38.83 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.214 -169.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.253 -174.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -73.4 -39.01 65.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.4 -46.03 87.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 58.1 mtm -61.78 -41.36 97.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 80.0 mt -62.78 -42.84 99.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -66.17 -20.99 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -82.05 -31.77 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 168.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.571 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 5.3 tp-100 -79.53 108.26 12.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 176.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.04 1.98 41.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -170.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -84.68 100.1 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.49 145.87 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.45 -22.71 39.38 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 149.61 47.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.172 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -145.92 164.24 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -173.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.0 tt -131.52 118.84 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.1 128.77 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 30.9 ptt-85 -142.24 156.22 45.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.269 -172.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -89.16 136.97 32.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -76.41 142.82 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.05 -30.77 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.4 p -78.16 -22.82 48.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.46 77.35 40.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -54.31 138.42 72.73 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.693 1.595 . . . . 0.0 111.2 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -19.83 52.56 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -105.93 158.13 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.154 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -123.01 157.33 32.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.3 m -111.75 155.25 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 163.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.0 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 m -97.06 113.29 24.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG21 ' CG2' ' A' ' 92' ' ' ILE . 14.9 p -111.72 126.93 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 -172.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 54.5 tttt -93.08 99.98 12.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 171.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -129.32 113.36 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 167.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.89 32.07 5.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 59.49 27.8 17.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -158.28 158.7 34.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.2 t -109.05 130.55 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 -167.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -106.17 144.47 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.4 t-80 -104.34 119.16 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -105.14 164.85 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -114.41 118.99 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.21 108.25 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.86 150.66 38.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 -163.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -78.6 138.6 38.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 43.9 p30 -96.05 -172.85 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 170.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.52 -3.77 78.92 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 -10.0 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 111.236 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.28 72.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -168.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -106.19 153.57 21.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.226 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -96.46 140.45 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -142.88 167.51 21.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.8 tt -135.19 -56.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -94.82 177.03 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -64.31 -24.84 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 164.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.16 130.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 164.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.3 tptm -134.4 134.46 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -125.1 -176.61 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 168.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.89 -23.35 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.6 t -152.55 149.53 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.184 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.0 tp -44.8 -40.23 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.244 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.54 -23.5 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.2 -41.66 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -73.86 -30.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -172.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.38 -25.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.5 -41.68 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 173.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -55.82 -48.48 75.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 168.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -84.97 11.96 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -89.54 -44.66 9.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.252 164.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -81.03 -22.15 39.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.9 m -130.76 140.16 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 t -59.03 146.67 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.75 -19.69 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 t -153.96 154.57 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -169.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.31 -24.79 62.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -109.47 -37.67 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.88 90.66 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.87 81.34 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.565 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.2 mm -109.87 129.99 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -121.57 112.36 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.08 78.73 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.259 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -91.42 159.01 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 177.819 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.0 m-85 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' PHE . . . -40.26 -57.97 2.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -108.58 32.82 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.191 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 13.5 tt -64.69 137.26 97.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.26 149.41 45.47 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 168.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -59.28 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.13 -37.09 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -100.48 -43.37 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.24 -35.55 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.42 -48.24 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.229 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 mtm -59.97 -45.12 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 98.6 mt -64.16 -37.91 89.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -74.75 -11.15 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.45 -30.19 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.27 -39.7 86.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 60.01 22.71 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -98.51 86.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.87 129.33 37.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.94 -29.64 10.49 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.54 159.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 111.214 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -147.89 158.19 43.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -126.6 113.84 17.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 170.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -92.78 128.54 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.4 ptt85 -144.08 150.0 37.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -171.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.68 138.56 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -70.87 143.77 50.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.49 -19.99 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.5 p -95.67 -23.73 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.84 79.87 26.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.53 137.4 57.8 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.711 1.607 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.46 46.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.75 157.99 16.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.195 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -113.17 155.16 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -107.05 152.58 23.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 160.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -118.45 107.93 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.206 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -99.54 105.18 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.628 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.2 p -100.17 124.69 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 -165.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptp -77.32 87.27 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -117.19 128.15 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.66 -133.85 47.26 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -170.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.94 21.99 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.33 174.59 10.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.256 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 46.0 t -125.12 118.31 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -94.57 152.14 18.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.615 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.7 t-80 -109.53 116.54 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.5 m-30 -103.01 147.85 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 170.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -94.67 120.06 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.33 105.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.22 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.22 146.31 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 -160.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -78.5 139.13 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 172.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -92.75 -170.2 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 171.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.06 -11.63 67.25 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -10.37 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.57 16.9 72.23 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.25 147.27 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 111.208 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -91.34 139.27 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -167.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -143.64 171.22 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.492 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.36 -58.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE2' HD22 ' A' ' 66' ' ' LEU . 80.9 m95 -97.38 170.69 8.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.08 -44.09 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 163.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.74 127.17 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 163.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -143.25 145.19 32.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.24 -168.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 172.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -63.85 -24.56 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.3 p -153.43 160.35 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.54 -44.18 65.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.194 170.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.73 -35.98 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.9 -43.89 56.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -73.37 -29.92 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 -170.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.61 -26.54 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.44 -41.42 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 170.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -56.53 -49.21 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 168.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.47 11.73 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -89.65 -41.48 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 163.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -66.92 -38.41 86.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -128.57 138.95 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -57.2 148.33 22.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.9 m -69.46 -21.91 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -168.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.05 -5.0 58.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -114.65 -30.69 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -110.36 144.48 39.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -98.89 79.14 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.6 mt -119.05 110.69 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 -173.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -113.17 109.98 19.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.216 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.35 79.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -169.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.56 146.34 34.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.877 0.37 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.2 -128.74 48.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -82.03 62.71 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 tt -77.1 136.98 65.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 174.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.01 147.67 55.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.682 1.588 . . . . 0.0 111.17 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -58.38 -30.14 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -99.52 -42.48 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.02 -40.56 96.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.9 -35.09 57.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.21 -46.6 88.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 172.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -63.57 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.49 -43.21 93.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.2 p -65.2 -18.34 65.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.57 -10.23 38.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -77.97 -26.06 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 53.37 38.88 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -139.95 101.91 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.247 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.46 140.13 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -29.67 11.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.73 146.66 45.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.36 164.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -172.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.8 tt -136.2 124.17 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.14 130.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OG ' ' A' ' 44' ' ' SER . 33.7 ptt-85 -144.79 157.86 44.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -172.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -88.25 135.0 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -65.92 141.46 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.34 -9.35 56.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 172.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -105.22 -23.44 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.35 76.71 55.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.7 138.93 68.07 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.684 1.589 . . . . 0.0 111.182 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.82 -21.82 44.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.9 155.87 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 111.214 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -115.48 153.06 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.9 m -109.06 154.34 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 161.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -121.99 110.74 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.637 ' OG ' ' NH1' ' A' ' 32' ' ' ARG . 62.9 m -94.8 116.48 28.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.9 p -116.95 130.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -99.0 102.05 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -128.27 125.68 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.236 167.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.54 23.07 44.58 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -172.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 62.56 17.47 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.02 134.29 38.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 64.8 t -85.49 123.3 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 -170.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -94.58 161.03 14.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.158 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -118.14 126.04 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -108.09 165.93 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -115.81 117.74 31.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.216 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.04 102.45 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 mt -110.68 148.39 32.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -162.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.53 138.04 36.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 166.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -89.5 -170.45 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -13.76 63.28 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.89 -14.52 41.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.39 9.83 78.53 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -166.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -89.27 138.89 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -88.51 136.3 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -146.23 168.88 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 173.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.96 -60.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -93.8 -96.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -171.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.0 -15.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -177.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.74 135.99 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.208 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -112.57 134.64 53.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -115.94 -171.56 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.68 -26.92 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -156.98 154.49 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.258 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -46.51 -36.7 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 166.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.94 -7.2 51.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -98.77 -40.02 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -72.37 -28.13 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.256 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.97 -25.97 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.38 -42.82 53.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -53.5 -46.21 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -91.34 22.46 3.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.23 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -96.38 -50.77 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 164.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -73.63 -20.74 60.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.0 m -130.78 144.45 51.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -57.6 162.41 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.176 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.31 -16.19 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.247 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -164.7 156.78 15.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.09 -20.88 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 172.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -112.84 -40.93 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.11 93.69 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.214 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -77.73 75.96 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -164.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.9 mm -114.8 142.89 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 172.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.08 151.11 40.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 161.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -108.13 94.04 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -107.88 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.356 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.4 -128.94 45.57 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -84.3 59.07 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.176 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -68.23 139.68 92.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 168.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -67.51 146.88 75.72 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.146 171.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -55.87 -35.26 66.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.32 -64.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 171.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.92 -38.85 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -168.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.24 -43.92 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -175.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -69.97 -38.13 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.99 -45.77 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 62.9 mtm -65.65 -37.28 86.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.7 mt -66.57 -29.12 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.04 -20.49 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.02 -39.31 79.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.221 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.4 tp-100 -69.21 145.59 53.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 162.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.73 -17.11 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -58.91 124.91 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -83.43 139.98 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 173.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.91 -20.66 38.08 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -62.46 156.43 22.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -149.7 158.23 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -124.6 112.62 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 170.217 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -90.95 131.03 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.9 ptt-85 -144.17 159.58 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -172.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.73 136.3 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -70.82 137.39 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.232 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -82.05 -32.22 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -71.64 -34.78 70.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.34 79.7 73.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.56 140.12 65.51 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.745 1.63 . . . . 0.0 111.241 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.02 -35.11 5.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -91.2 160.83 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.236 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -114.13 154.72 27.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.232 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -109.43 155.03 21.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 157.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -122.56 108.47 13.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.234 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 m -99.8 109.07 21.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.222 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.586 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -103.89 124.46 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -169.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ALA . 3.0 tptm -88.53 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -129.75 121.33 26.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.43 35.56 6.53 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.13 27.67 15.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.143 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -156.91 171.45 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 39.8 t -118.09 132.33 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -109.32 143.84 38.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.205 170.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.537 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -102.94 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.18 -176.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.4 m-30 -107.83 164.64 12.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 175.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -113.8 117.86 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.7 t -108.46 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -114.91 144.99 42.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -163.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -77.37 145.16 37.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 50.1 p30 -93.85 -170.06 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 165.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.21 -9.53 72.43 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.93 46.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.79 69.38 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.91 147.39 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -97.57 141.16 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -163.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -144.19 171.65 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.229 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.522 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.76 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD2' HD22 ' A' ' 66' ' ' LEU . 98.9 m95 -89.96 -97.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -166.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.3 -58.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.45 137.64 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 161.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -128.23 144.36 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -120.08 -174.68 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -62.23 -23.72 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 -167.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -153.99 161.84 41.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.217 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.7 tp -52.85 -47.78 67.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.222 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.52 -28.2 68.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -78.72 -43.27 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.9 pp -74.79 -29.78 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -171.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.12 -23.74 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.34 -40.85 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 172.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 167.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -84.3 12.05 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.191 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -90.39 -47.71 7.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 164.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 m -67.68 -38.95 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -119.93 137.19 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -55.95 148.42 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.225 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 m -69.93 -19.75 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 t -154.74 155.33 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.28 -12.88 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.33 -32.93 5.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -107.83 93.56 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -75.53 80.27 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -170.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.586 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.3 mm -109.83 129.96 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.21 110.57 15.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.83 77.17 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -89.2 150.58 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 176.211 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.84 0.352 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.37 -122.76 25.47 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -78.9 67.36 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 111.175 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tt -77.44 136.18 64.63 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -71.32 146.88 51.86 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.592 . . . . 0.0 111.215 169.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -57.39 -34.0 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -35.62 -53.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 170.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -85.39 -41.15 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.02 -45.37 95.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.08 -39.17 89.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.57 -47.99 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 mtm -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 93.8 mt -73.54 -33.96 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 -18.79 58.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.79 -37.2 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 166.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.99 138.16 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 165.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -116.69 39.73 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 36.4 p-80 -136.13 115.89 13.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.227 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.49 136.22 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.46 -25.08 8.81 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.22 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -148.48 159.01 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.0 tt -133.8 128.2 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -103.62 127.43 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -143.05 163.59 32.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -77.07 137.51 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.3 t -85.33 118.29 24.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.28 -32.6 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.2 p -78.43 -10.0 59.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.4 71.97 6.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -53.98 139.6 70.08 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.675 1.583 . . . . 0.0 111.245 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.25 -31.13 8.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.51 156.21 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -110.98 156.76 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -172.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -113.68 154.37 27.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 163.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -122.89 112.53 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -101.67 109.55 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.5 p -110.33 122.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -169.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -88.65 84.13 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -111.13 136.63 49.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.47 34.86 56.75 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.7 t30 57.62 31.59 20.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.19 160.53 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 100.0 t -109.35 121.63 62.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -169.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -105.7 149.83 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.248 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -106.36 122.93 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.7 m-30 -106.74 154.83 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.28 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -93.88 133.2 37.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.45 103.04 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 173.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -109.85 145.07 37.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -165.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -76.2 142.03 41.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.253 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 49.6 p30 -91.42 -169.02 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 170.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.56 -15.54 64.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.42 -10.99 53.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.227 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.47 71.96 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.52 145.4 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.22 141.53 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -165.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -144.95 159.28 43.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 167.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 67' ' ' TRP . 3.6 tt -102.38 -70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.426 ' CD1' HD22 ' A' ' 66' ' ' LEU . 19.3 m95 -102.14 -87.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.32 -35.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 137.83 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -132.53 127.43 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 -176.066 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -119.08 179.72 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 168.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.0 -22.13 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.3 p -150.76 157.87 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.4 tp -52.05 -42.07 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -57.59 -36.92 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.67 -37.93 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -83.05 -21.13 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -170.265 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.41 -20.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.17 -39.55 68.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 166.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.1 -49.22 77.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 167.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -77.6 4.27 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -88.12 -50.46 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -71.55 -34.92 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.5 m -119.83 141.01 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.1 p -59.57 152.77 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.03 -12.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.227 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -153.2 152.1 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.5 -22.89 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -110.03 -32.18 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -109.45 94.0 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.15 68.72 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 -168.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG2' HG21 ' A' ' 45' ' ' VAL . 59.7 mt -102.84 137.97 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.74 151.58 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 mt -103.02 89.9 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -110.99 143.72 41.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.25 -168.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -179.536 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.37 -125.77 38.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.64 55.81 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 111.231 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 8.9 tt -69.99 139.31 87.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -68.09 146.87 72.03 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.785 1.656 . . . . 0.0 111.132 170.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -55.98 -34.56 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.23 -63.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 171.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.56 -39.11 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -169.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -38.63 90.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -73.28 -40.9 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.76 -46.09 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.4 mtm -60.55 -41.9 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.242 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 46' ' ' LYS . 89.4 mt -65.85 -34.98 79.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.8 p -78.75 -12.91 60.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.93 -33.02 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 165.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.25 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 50.01 49.96 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -128.33 99.09 5.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 94.7 m-20 -60.01 132.61 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -34.37 5.84 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 151.35 47.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.181 -175.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.73 165.02 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -130.33 120.53 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 170.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.8 mt -97.88 131.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.0 ptt-85 -145.05 164.09 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -93.73 135.14 35.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 174.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 t -70.38 142.25 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -88.62 -8.05 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -100.29 -28.8 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.22 76.88 68.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.24 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.25 139.44 63.47 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.684 1.589 . . . . 0.0 111.219 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.28 -26.32 24.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -98.89 151.96 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -109.52 159.58 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -118.81 153.07 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 164.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -122.5 110.01 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 m -99.71 110.07 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -103.11 123.43 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -171.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.8 tptt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.273 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -129.82 130.15 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 172.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' ASP . . . 78.57 27.1 57.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 61.49 7.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' GLY . 21.9 t0 -112.08 170.04 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 167.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.8 t -119.0 128.63 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -110.01 144.65 38.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.254 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.8 t-80 -102.92 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -173.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -105.37 149.33 26.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -93.91 119.97 33.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.43 106.46 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.38 144.39 39.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -158.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -65.77 139.46 58.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.79 173.56 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 -16.88 61.9 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.28 59.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.96 88.77 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -82.93 168.86 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.21 143.66 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -144.74 169.8 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.84 -63.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -88.4 172.97 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.235 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.25 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 162.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.4 t -79.52 123.74 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 163.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -139.27 141.0 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.1 -167.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -58.0 -25.63 61.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -170.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.6 p -156.47 163.49 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 tp -51.69 -44.04 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 170.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.91 -36.2 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -70.44 -44.36 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -75.5 -30.15 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.08 -26.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 175.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.92 -41.66 64.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.01 -49.15 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 168.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -84.11 10.72 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -87.79 -45.64 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.3 p -81.8 -21.2 37.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.8 m -132.39 142.35 49.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.9 p -62.49 156.62 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.42 -13.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -160.99 155.55 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.37 -25.7 62.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -113.87 -40.42 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.19 70.2 2.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -82.08 66.81 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -156.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.9 mm -79.35 141.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.249 171.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -116.27 148.81 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -110.91 105.46 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.51 152.13 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.533 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.44 -128.02 45.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.16 60.69 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 111.217 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -69.89 139.52 88.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 167.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.6 Cg_endo -67.13 146.05 75.18 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.622 1.548 . . . . 0.0 111.253 170.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.85 -34.39 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.59 -65.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -70.19 -38.85 75.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.225 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.51 -40.77 95.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -72.33 -40.23 67.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.88 -46.9 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.6 mtm -61.21 -44.12 97.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.5 mt -62.31 -36.47 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.3 p -75.63 -3.34 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.02 -24.25 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 170.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -70.6 -40.52 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 60.07 26.87 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -104.15 94.8 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.52 128.75 35.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.12 -23.81 29.64 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.45 162.3 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.165 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -155.46 156.94 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -123.71 118.71 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 174.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.4 mt -99.1 130.05 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -143.55 164.63 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -91.7 135.03 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -68.46 141.62 55.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -85.86 -31.69 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -80.58 -22.25 40.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.79 75.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.94 139.81 69.59 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.697 1.598 . . . . 0.0 111.243 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.99 -22.02 43.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -102.26 153.8 19.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 111.238 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -172.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 m -124.5 153.2 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 166.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.97 111.25 16.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -99.73 111.57 23.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -102.31 125.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 -167.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.3 tptp -77.55 85.31 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CD2' HG12 ' A' ' 92' ' ' ILE . 8.3 t80 -112.62 120.39 41.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.47 -136.59 39.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -169.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.54 21.38 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.04 176.0 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.248 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 t -124.59 125.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.98 167.75 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 174.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.682 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -129.51 115.15 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -172.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -96.77 141.5 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -81.64 120.66 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.0 92.3 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -107.21 150.07 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -158.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -76.88 136.57 38.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 168.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -90.77 -168.58 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.34 -16.78 63.16 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.09 -12.19 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.273 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.84 13.93 76.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -165.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.38 143.68 27.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.26 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -86.58 136.98 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -140.87 160.06 40.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 171.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 7.2 tt -122.08 120.0 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 27.4 m95 55.23 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.36 -10.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.03 139.51 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.243 -168.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -149.53 139.87 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.87 -164.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -55.45 -28.06 52.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.13 153.58 29.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' ' 74' ' ' LEU . 6.9 tt -57.53 -28.25 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.199 173.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -59.44 -19.65 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.23 -31.61 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.275 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -79.79 -25.04 41.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.36 -27.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.62 -41.06 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -56.01 -48.41 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 167.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -82.29 8.86 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -94.22 -50.02 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -69.57 -37.55 77.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -117.99 139.32 51.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.1 p -59.97 153.22 21.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.56 -28.37 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -157.26 158.12 35.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.12 -26.6 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -99.7 0.08 41.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -139.12 101.36 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.44 67.89 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 -173.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.4 mt -117.67 125.35 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -174.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -122.83 109.95 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.65 81.26 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -170.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -77.99 148.11 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.172 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.48 -118.91 12.67 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -81.95 65.78 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 7.9 tt -70.05 139.92 88.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 172.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.0 Cg_endo -67.67 148.4 77.75 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.701 1.601 . . . . 0.0 111.173 169.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -56.01 -35.45 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -71.49 -38.33 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -168.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.97 95.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.7 -40.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.44 -47.14 82.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mtm -60.46 -45.52 93.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 90.8 mt -62.82 -36.95 84.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.4 p -71.82 -7.44 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -99.54 -24.95 14.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.07 -41.32 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 60.1 26.51 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -102.95 95.15 5.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.38 128.3 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.82 -29.66 11.39 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.54 152.22 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -146.48 155.95 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -171.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.46 113.62 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -94.01 128.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CB ' HG22 ' A' ' 11' ' ' ILE . 40.7 ptt85 -141.42 156.58 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -88.14 136.32 33.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.238 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -71.24 141.76 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.188 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -82.56 -33.37 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -79.59 -22.41 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.63 75.5 43.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.08 139.78 70.92 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.788 1.659 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.54 -20.55 50.26 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -106.06 155.48 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -120.01 154.53 34.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 m -113.85 156.9 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 164.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.49 111.08 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -101.44 109.51 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -107.01 125.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.264 -167.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 24.5 tptp -82.64 86.62 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -102.24 126.71 49.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.99 -131.78 45.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -171.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.56 2.99 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -113.77 171.1 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.19 123.77 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 172.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -96.77 148.5 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.482 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 3.4 t-80 -110.04 118.26 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -103.44 154.08 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -100.58 126.15 47.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.71 95.06 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.9 mt -110.02 151.04 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -159.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -78.48 137.19 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -90.93 -168.96 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.219 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.28 -15.77 63.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -175.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.32 -12.56 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.686 0.279 . . . . 0.0 111.139 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.23 12.87 78.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -165.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -94.95 141.29 28.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -89.01 135.59 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -170.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -141.21 161.92 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.232 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 6.7 tt -120.82 121.14 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 24.4 m95 56.19 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -169.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.7 -6.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.23 135.59 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -167.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -133.53 129.93 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.74 -173.51 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 170.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -55.74 -26.28 44.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.0 t -155.22 151.0 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.66 -33.36 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 167.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.37 -7.85 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -101.74 -43.87 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.3 pp -67.44 -21.02 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.45 -26.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.02 -38.47 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -55.86 -48.55 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 167.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -78.13 1.67 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 -88.16 -47.15 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.4 p -83.03 -20.96 34.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.4 m -130.77 140.84 50.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.0 p -61.38 150.12 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.72 -23.74 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.266 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 t -149.42 153.73 37.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -172.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.84 -25.26 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -106.96 -34.26 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -174.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -107.83 92.58 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -77.64 66.52 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -166.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.407 ' CG2' HG21 ' A' ' 45' ' ' VAL . 53.4 mt -99.87 137.4 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.77 154.11 29.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.209 174.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -106.44 105.59 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.216 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 96' ' ' ASP . 75.2 mtt85 -112.63 160.03 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -173.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 27.0 t0 . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.46 -131.97 51.25 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.8 62.36 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.258 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -75.73 137.08 70.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.64 147.77 57.95 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.686 1.591 . . . . 0.0 111.196 169.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -61.24 -20.79 63.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.02 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 11' ' ' ILE . 23.7 mmmt -90.09 -55.21 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -60.87 -26.96 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -163.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -88.59 -33.88 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -60.62 -37.04 80.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.3 mtt -63.05 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 mt -85.24 -33.98 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -168.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -70.41 -15.92 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.76 -30.91 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.86 -38.47 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.207 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 59.93 30.59 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.67 96.78 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.613 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 35.0 p30 -64.12 123.25 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -173.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.04 -19.58 43.19 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 150.41 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.3 tt -130.63 119.36 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.171 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.88 130.18 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -145.41 168.26 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 -170.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -92.11 139.13 30.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.182 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -73.26 140.48 46.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -87.72 -10.49 50.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 100.0 p -97.82 -23.74 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.92 77.54 37.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.196 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.47 138.0 65.64 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.647 1.564 . . . . 0.0 111.202 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.63 -25.58 27.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.71 154.28 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 111.243 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -109.88 159.99 16.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.285 -174.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -120.41 154.89 34.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 164.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tt -121.28 109.97 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -97.81 109.65 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.0 p -107.03 126.07 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -171.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.6 tptp -89.08 90.83 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.26 175.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -113.85 136.12 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.68 -128.13 37.57 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -105.26 2.25 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -114.05 169.57 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 -173.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 87.8 t -118.21 126.12 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 168.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -101.55 149.45 24.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.557 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -107.49 119.87 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -106.22 147.56 28.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.256 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -93.26 119.98 33.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -105.53 105.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -111.67 147.66 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -159.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -74.36 136.86 42.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -96.37 -173.0 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.212 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.28 -2.61 79.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.28 -12.84 31.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.97 10.59 71.74 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -99.32 162.08 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -142.48 168.2 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -136.83 -60.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CD2' HD22 ' A' ' 66' ' ' LEU . 71.3 m95 -92.18 174.65 7.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.53 -23.78 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 165.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.98 130.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 165.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -134.53 132.53 39.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -123.75 -171.55 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.32 -21.14 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.4 p -153.23 159.76 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.4 tp -51.13 -42.54 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.66 -39.96 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.26 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -75.88 -30.11 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -167.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.71 -26.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.63 -42.7 64.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -53.65 -46.45 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 169.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -90.21 20.88 4.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -92.22 -48.26 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 163.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -79.2 -18.59 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.55 146.58 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.2 p -55.82 158.58 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.08 -26.01 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -163.9 -174.22 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -103.81 -9.47 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.73 4.32 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -171.79 108.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -84.62 62.24 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -169.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.549 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.1 mm -84.66 142.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.76 141.72 50.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.8 mt -107.65 96.18 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.01 150.68 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -171.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.312 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.82 -128.47 43.15 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.19 59.61 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.705 0.288 . . . . 0.0 111.203 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -70.08 139.74 87.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 168.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 91.3 Cg_endo -67.62 146.56 73.9 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.623 1.549 . . . . 0.0 111.27 170.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.06 -35.24 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 172.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -63.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.166 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -71.44 -38.81 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -168.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.83 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -174.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -72.52 -39.46 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.69 -45.72 85.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.262 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 99.3 p -72.3 -24.27 61.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.41 -37.49 43.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.701 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.6 tp-100 -66.43 146.6 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 167.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -118.58 48.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -130.31 99.61 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -171.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.73 137.54 54.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 174.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 95.89 -22.17 40.87 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.15 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -144.37 162.75 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -172.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.22 112.41 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 171.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.63 132.74 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 33.9 ptt-85 -145.34 159.73 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -173.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.68 134.21 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 142.21 56.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -84.27 -33.45 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -79.51 -22.22 44.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.245 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.53 76.83 47.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -53.86 139.68 68.85 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.596 1.531 . . . . 0.0 111.229 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.82 -22.29 41.33 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.18 159.7 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.59 156.33 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -170.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -112.82 155.26 24.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 162.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.66 107.41 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -99.56 111.78 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -109.99 127.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -171.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.701 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 43.6 tttt -85.69 99.31 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 171.313 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -103.93 127.09 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.222 165.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.74 -122.28 27.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.3 5.74 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.184 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -112.65 156.95 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 48.2 t -112.35 131.97 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.0 142.54 41.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' HIS . . . . . 0.56 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.2 t-80 -103.41 119.42 38.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -104.37 155.83 18.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -100.78 124.81 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -109.58 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.41 150.93 38.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -164.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -86.8 141.54 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -93.41 -171.61 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.69 -5.88 75.49 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.87 -11.75 38.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.215 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 15.43 70.8 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -167.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -102.78 149.17 24.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -97.0 139.63 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.99 169.24 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -135.42 -64.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -92.93 -96.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -138.9 -55.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.71 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.174 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -126.08 129.35 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.62 -174.03 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 173.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -72.03 -16.75 62.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 150.78 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.2 tp -43.62 -40.28 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 167.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.25 -20.94 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -90.21 -41.63 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -73.95 -29.36 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.6 -25.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -74.18 -40.69 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -55.66 -47.52 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -85.5 12.4 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -89.79 -46.65 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 163.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -66.58 -39.5 88.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -120.07 136.89 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.1 149.54 12.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.13 -18.57 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 t -150.46 152.87 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -171.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.09 -11.32 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 175.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -113.71 -31.78 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -109.6 94.06 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.242 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -75.12 75.5 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 -169.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 45' ' ' VAL . 46.8 mt -114.31 126.58 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.413 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 13.3 m-85 -117.35 118.22 31.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -76.14 80.46 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.243 -172.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -90.03 156.66 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 176.551 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.795 0.331 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.24 -127.56 43.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.52 59.85 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -70.0 139.83 88.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 168.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.0 Cg_endo -67.28 146.09 74.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.85 -35.28 66.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 172.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -71.02 -38.62 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -168.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.79 -40.58 95.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.71 -39.96 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.58 -46.99 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 57.9 mtm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.4 mt -64.72 -39.78 94.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -72.57 -12.27 61.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.26 -25.77 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 168.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.99 -41.74 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 59.92 32.44 21.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.92 94.69 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.9 129.73 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.26 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.67 -28.38 15.16 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.2 157.05 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.22 159.07 44.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -127.09 111.95 14.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.176 171.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.48 129.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 ptt-85 -142.3 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -89.99 135.24 33.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.7 t -68.33 140.85 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -84.62 -30.62 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -82.51 -22.21 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.33 74.88 47.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.77 140.31 67.37 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.741 1.627 . . . . 0.0 111.225 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.25 36.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.08 155.08 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.263 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -109.93 156.42 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 161.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.96 110.42 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 m -101.43 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.6 p -102.79 124.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -169.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.2 tptp -77.95 86.13 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.246 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG12 ' A' ' 92' ' ' ILE . 7.4 t80 -113.18 121.16 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.98 -132.49 43.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -167.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -101.7 10.85 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.214 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -131.5 151.34 51.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.0 t -107.15 119.01 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -92.49 151.81 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -110.54 125.8 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HB3' HD21 ' A' ' 66' ' ' LEU . 13.7 m-30 -110.86 144.44 39.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -84.14 116.76 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.12 107.28 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.232 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -109.85 137.66 47.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -163.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.29 135.89 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 40.7 p30 -95.47 -175.12 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.94 86.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.28 -11.63 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.1 9.78 72.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -166.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -102.5 168.54 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 111.195 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.4 147.44 46.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.19 168.29 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.512 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.6 tt -135.54 -66.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.208 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CD2' HD22 ' A' ' 66' ' ' LEU . 96.8 m95 -91.3 -96.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -167.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.27 -59.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.19 138.27 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 162.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 86.9 tttt -131.88 142.41 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.03 -171.68 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -64.91 -23.32 67.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.228 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.3 p -152.33 161.46 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.8 tp -50.36 -42.77 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.12 -36.81 75.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.24 -42.04 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.7 pp -75.58 -29.21 59.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -171.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.0 m -77.1 -26.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.244 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.46 -40.22 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -57.19 -49.33 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -85.24 16.63 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -93.0 -48.87 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 162.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -73.84 -20.65 60.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.3 m -131.73 144.56 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -58.46 159.13 6.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.87 -27.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -159.43 157.82 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.185 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.65 -26.62 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -97.3 -0.42 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -141.29 98.11 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -79.03 68.27 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.227 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.567 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.8 mt -115.39 122.43 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -119.73 110.34 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.231 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.58 79.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -82.14 159.85 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.64 -129.23 44.11 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -82.41 60.11 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.1 tt -70.04 139.74 88.0 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 168.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 96.6 Cg_endo -67.29 146.06 74.24 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.209 170.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.82 -34.8 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 172.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.07 -64.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 171.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -70.8 -38.49 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.234 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -174.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -71.87 -40.26 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.282 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.62 -39.35 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.77 -35.89 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.7 p -78.22 -18.56 55.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.14 -34.49 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 167.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.5 tp-100 -67.84 147.1 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 165.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -119.02 64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -152.51 87.08 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 -168.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -58.18 132.72 54.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 -32.06 7.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -170.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.35 150.99 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.78 161.47 41.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -171.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.62 116.29 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.5 mt -95.94 131.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -143.94 165.3 28.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -89.31 136.41 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -71.3 139.35 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -83.53 -32.49 25.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 173.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 m -71.5 -35.03 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.3 78.93 73.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.34 140.52 73.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.699 1.599 . . . . 0.0 111.232 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.93 -23.41 36.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -99.07 155.77 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -109.72 155.73 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.244 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -120.09 152.83 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 163.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -124.43 109.99 13.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 m -98.16 114.6 26.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.6 p -110.23 126.32 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.668 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 48.3 tttt -90.57 101.71 14.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 171.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -129.93 120.03 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 166.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.37 7.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.8 t30 59.43 26.1 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.173 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -156.18 158.56 37.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 171.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 52.8 t -108.22 127.72 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -166.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -101.46 164.41 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.224 166.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -121.78 130.39 53.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -108.42 145.3 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.217 170.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.39 122.26 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.58 109.81 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.93 142.82 48.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -160.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -74.65 137.26 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.1 p30 -94.65 -171.15 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 170.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.68 -5.9 75.53 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -9.49 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.11 15.98 73.25 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -106.81 151.84 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 0.0 111.194 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.65 143.06 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -143.82 171.87 13.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -128.8 125.96 38.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.4 m95 42.98 -109.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.78 17.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.75 134.04 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -131.87 128.26 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -173.72 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.74 -173.75 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 164.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -60.83 -23.15 64.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -173.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -157.28 160.76 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.83 -42.57 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 168.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.58 -34.85 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.12 -44.04 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.0 pp -73.3 -26.83 61.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -171.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -78.2 -27.97 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.213 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.38 -38.42 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 169.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.42 -47.92 78.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.22 166.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -72.06 -6.45 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -85.44 -46.98 10.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.264 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.8 p -81.02 -20.27 42.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -135.97 144.2 45.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -59.58 151.29 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.228 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.84 -41.03 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -150.26 152.37 34.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -169.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.77 -16.09 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -110.67 -31.23 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -111.31 102.29 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.85 75.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -170.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.511 ' CG2' HG21 ' A' ' 45' ' ' VAL . 9.2 mm -113.48 146.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -121.26 152.01 39.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.243 159.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.68 102.33 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -115.91 152.83 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -179.645 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.28 120.25 53.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -58.44 149.57 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.702 1.601 . . . . 0.0 111.232 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.406 ' O ' ' HA2' ' A' ' 9' ' ' GLY . 73.1 m-70 -83.04 116.38 63.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.98 -2.73 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.651 1.567 . . . . 0.0 111.203 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -55.4 146.25 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 55.08 -104.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -128.69 24.76 5.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 58.84 -117.97 12.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -100.62 38.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 111.181 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.8 tt -51.54 139.43 28.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -68.98 147.51 68.07 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.745 1.63 . . . . 0.0 111.164 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.29 -34.72 64.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.235 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.79 -62.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.1 -38.54 72.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.09 -41.41 98.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -173.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -73.86 -38.51 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.59 -46.68 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.219 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 55.3 mtm -60.33 -44.41 95.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 92.9 mt -61.52 -36.73 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.9 p -74.95 -5.6 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.54 -25.6 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.34 -40.23 77.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.191 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 59.97 25.94 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.29 96.25 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.37 131.61 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 -22.41 39.65 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.62 161.84 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 111.192 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -152.55 163.4 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.9 tt -127.97 122.37 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 169.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -99.96 131.0 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 32.4 ptt-85 -145.28 153.27 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -173.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -93.51 143.23 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -83.54 142.23 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -83.06 -28.14 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -78.04 -22.6 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.74 76.22 35.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -54.43 138.86 74.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.695 1.596 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.98 -20.62 50.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.69 156.48 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.3 160.2 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -113.69 153.04 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 164.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -123.21 107.74 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 175.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -100.84 109.23 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.3 p -103.55 125.57 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -167.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 26.3 tptp -81.95 89.78 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -104.01 128.87 51.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.17 -126.01 41.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -109.21 20.21 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.241 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.28 173.12 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.44 133.09 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -108.99 144.39 37.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.627 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.4 t-80 -103.77 119.01 38.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -103.97 150.36 24.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.3 120.06 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.43 108.63 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.27 136.99 52.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -160.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -84.36 133.36 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 28.5 p30 -95.99 -176.58 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.43 -2.29 83.99 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.46 -10.5 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.75 8.21 76.96 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -99.98 170.26 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -117.3 146.45 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.23 166.52 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -138.31 -56.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.3 m95 -93.86 176.5 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.57 -22.6 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 163.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -80.08 123.93 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.67 129.48 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -173.065 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.88 -176.32 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -62.46 -24.51 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -154.1 159.83 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -49.92 -41.98 47.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 169.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.58 -37.95 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.29 -43.07 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -75.18 -30.13 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -169.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.13 -27.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.94 -41.95 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -55.33 -48.38 74.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -87.67 12.13 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -85.65 -39.46 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 163.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.8 p -85.52 -24.56 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -126.51 138.06 53.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 t -58.21 147.7 29.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.6 -15.85 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -152.97 152.73 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.37 -12.74 53.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.65 -33.91 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.232 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -111.92 97.41 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -72.62 72.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.459 ' CG2' HG21 ' A' ' 45' ' ' VAL . 60.3 mt -115.23 133.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.95 158.18 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.32 104.25 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 173.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -112.67 146.65 38.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.62 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.793 0.33 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.31 127.61 93.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.37 174.0 13.41 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.728 1.619 . . . . 0.0 111.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -64.42 135.93 96.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.96 -9.42 19.43 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.744 1.629 . . . . 0.0 111.204 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -62.79 142.04 58.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 49.93 -105.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -127.06 15.36 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -172.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.91 -127.8 41.85 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -83.83 60.8 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.248 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.414 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.7 tt -69.97 139.84 88.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 167.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 95.1 Cg_endo -67.23 146.25 75.25 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.719 1.612 . . . . 0.0 111.223 171.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -55.85 -35.17 66.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.31 -64.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.212 171.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -71.08 -38.45 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.218 -168.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.64 -40.38 96.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -72.73 -39.83 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -56.73 -47.62 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.7 mtm -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.95 -36.18 83.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.2 p -77.66 -12.39 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.91 -26.26 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 58.06 36.89 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -119.98 95.4 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 93.8 m-20 -59.09 136.16 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 100.98 -23.11 36.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -173.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 157.39 35.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 111.205 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -147.4 162.92 38.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.226 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -129.23 113.95 15.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 168.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.11 133.21 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.8 ptt-85 -147.1 160.33 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.42 134.32 33.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -67.71 141.58 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.01 -32.27 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -79.76 -21.8 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.8 75.54 49.07 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.24 139.94 72.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.686 1.591 . . . . 0.0 111.165 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.23 -19.18 55.5 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -105.92 158.62 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 111.181 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -110.2 156.67 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -116.34 154.57 29.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 159.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.37 110.48 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.6 m -99.81 110.22 22.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -104.71 121.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -85.16 96.43 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 172.357 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -128.74 122.0 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 88.3 39.36 6.86 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 58.98 22.89 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -154.64 169.22 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 63.0 t -115.23 128.85 72.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -171.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -102.87 150.03 23.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -110.74 127.04 55.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -111.32 152.21 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -91.74 127.77 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.98 112.03 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.05 159.67 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -163.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -92.81 134.62 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -90.4 -170.01 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -16.3 64.38 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.04 -10.51 54.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.29 81.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -168.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -97.38 147.75 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 111.238 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -83.82 139.97 32.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.238 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -147.14 168.81 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.268 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.2 tt -134.19 -61.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.4 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.5 m95 -88.4 174.05 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.14 -23.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 164.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.88 130.56 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 166.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.0 tptm -133.2 134.58 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -172.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -129.2 -169.0 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -65.89 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -169.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -154.98 161.54 41.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -48.28 67.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.74 -35.26 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.204 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.21 -45.59 66.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.8 -30.14 61.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -170.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.71 -24.74 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -40.14 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 170.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -55.7 -47.81 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 167.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -86.34 14.8 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -89.89 -44.88 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 164.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -76.64 -21.47 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -134.37 142.8 47.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -49.83 156.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.5 m -73.42 -19.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -162.24 156.52 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.58 -17.27 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -113.14 -40.84 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -93.73 95.75 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.63 75.45 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -165.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 8.6 mm -120.01 140.03 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.78 149.86 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 162.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.5 mt -110.04 105.65 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 172.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 27' ' ' GLY . 79.5 mtt180 -124.0 161.76 24.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -173.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.232 177.842 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.81 129.24 92.91 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -76.34 174.12 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.616 1.544 . . . . 0.0 111.253 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -65.48 134.81 95.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.21 -9.81 20.63 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.661 1.574 . . . . 0.0 111.195 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.79 140.36 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 48.53 -105.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.85 16.29 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 -129.64 43.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.57 60.87 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.7 tt -69.41 139.37 89.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 168.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -66.8 145.5 75.2 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.7 1.6 . . . . 0.0 111.149 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.81 -35.21 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.37 -65.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -71.14 -38.76 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.36 -39.99 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.232 -174.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -71.67 -39.37 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.5 -37.72 68.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.186 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.409 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.6 mtt -64.78 -54.21 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.48 -34.4 78.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.6 p -75.46 -9.3 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -98.78 -24.46 15.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -68.02 -35.65 78.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 59.78 29.9 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.45 92.64 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.29 135.16 57.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 105.17 -26.5 21.81 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -172.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 158.41 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.155 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -148.49 161.36 41.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -128.55 113.08 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 169.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.91 132.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -145.81 164.44 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -173.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -83.41 139.41 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -82.78 113.31 20.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.05 -32.92 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -78.95 -9.72 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.55 72.45 9.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -55.27 140.6 81.68 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.734 1.623 . . . . 0.0 111.23 -173.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.53 -36.64 4.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -88.67 159.37 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.16 154.8 20.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.15 109.91 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -98.58 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 13.0 p -103.03 124.43 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -172.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.1 tptp -88.71 94.7 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -129.67 130.67 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.79 38.22 17.04 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 60.02 27.28 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -156.79 172.42 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.269 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 80.1 t -118.28 129.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -106.19 149.97 26.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -107.36 126.9 53.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.41 147.65 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.01 121.58 32.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -104.88 106.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.72 140.63 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -161.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -78.11 137.78 38.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -91.07 -170.4 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 172.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.17 -13.95 65.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.98 -11.03 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 16.67 71.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -168.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.72 146.62 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.187 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -167.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -141.67 166.02 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 171.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.9 tt -135.06 -63.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.54 -97.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -169.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.0 t -139.19 -56.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.15 141.1 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.6 tptm -124.23 128.33 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -117.26 -178.45 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.8 -22.45 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -151.13 149.46 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.1 tp -44.43 -40.85 5.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 168.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.51 -40.75 9.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.63 -29.28 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.246 -175.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.86 -25.56 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.51 -42.12 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -53.13 -46.63 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -88.88 18.71 4.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -93.99 -47.83 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 164.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.0 p -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.7 m -132.88 145.91 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 p -56.65 163.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.85 -14.44 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -167.4 158.98 12.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.42 -23.29 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.68 -41.41 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.232 -173.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -91.72 95.41 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -76.73 76.51 3.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -120.07 140.0 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.6 148.59 40.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 163.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.57 105.83 15.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.206 173.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' GLY . 99.6 mtt180 -123.23 161.33 24.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.341 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.54 149.76 45.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.03 173.26 14.74 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.712 1.608 . . . . 0.0 111.153 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -87.77 120.02 70.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -78.15 46.62 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.64 1.56 . . . . 0.0 111.192 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -135.79 170.35 16.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.231 -171.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.62 143.54 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 168.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -65.02 -27.75 69.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -16.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.73 -126.84 8.46 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 84.2 tttt -83.13 52.17 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.444 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 12.3 tt -58.06 137.29 84.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 163.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 147.39 78.11 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.654 1.569 . . . . 0.0 111.136 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.8 -37.27 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.23 -65.99 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -71.13 -37.68 72.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -169.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.2 -42.9 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.266 -174.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -71.99 -37.74 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.17 -45.84 79.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 11' ' ' ILE . 54.0 mtm -65.01 -38.24 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.7 mt -65.37 -36.14 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.7 p -74.98 -19.83 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.71 -30.45 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 166.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -90.44 84.27 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.58 67.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 -170.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -130.04 95.79 4.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.69 133.05 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 100.43 -24.86 30.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.72 161.61 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -150.36 159.1 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.4 tt -124.25 110.9 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 169.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -90.34 132.05 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 35.6 ptt-85 -146.23 164.94 30.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -170.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -71.29 134.14 46.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -57.21 140.53 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.194 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.68 -20.04 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.3 p -104.64 -22.8 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.76 81.64 14.63 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.183 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.41 138.67 56.36 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.737 1.625 . . . . 0.0 111.217 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.19 -22.92 31.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.72 164.21 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.57 165.36 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 m -123.62 152.93 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 166.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.94 105.93 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -100.45 110.98 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.5 p -104.45 123.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 -166.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.7 tptm -82.15 90.61 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -103.95 127.6 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.13 -126.37 42.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -170.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.76 -1.55 32.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -108.82 165.49 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.9 t -121.59 132.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.92 147.69 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -104.19 128.47 51.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.3 m-30 -111.56 146.42 37.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -87.57 121.41 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -110.17 112.09 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.03 143.23 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 -159.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -78.91 131.0 36.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -93.92 -172.93 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.81 -4.03 81.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -172.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.09 -9.29 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.316 . . . . 0.0 111.193 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 13.22 76.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -106.11 157.6 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -99.77 139.56 35.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -139.99 171.98 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 174.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.7 tt -135.81 -62.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.483 ' CD2' HD22 ' A' ' 66' ' ' LEU . 80.5 m95 -91.41 173.79 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.4 -23.39 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 162.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.75 128.72 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 165.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -133.59 132.82 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 -173.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.65 -170.17 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -63.85 -24.77 67.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -170.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.8 p -156.36 162.17 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.04 -48.62 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.94 -31.18 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.77 -45.0 38.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -75.05 -30.24 60.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.235 -169.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.66 -23.72 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.05 -40.96 64.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.9 -47.99 76.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.261 167.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -85.53 11.9 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -88.89 -41.34 12.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 162.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -69.71 -39.54 76.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.5 m -119.76 136.52 54.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 t -57.45 147.04 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.425 ' HB ' ' CZ2' ' A' ' 67' ' ' TRP . 34.0 m -77.08 -14.01 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -137.5 148.49 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.21 -3.22 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -109.71 -30.69 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.252 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -123.83 133.23 53.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.17 73.03 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 45' ' ' VAL . 28.1 mt -109.02 115.49 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 32.9 m-85 -117.23 118.09 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 mt -71.0 78.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -171.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -87.1 158.26 19.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.215 176.053 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -67.53 125.09 90.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.33 174.47 12.35 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.71 1.607 . . . . 0.0 111.201 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.36 139.69 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.62 -11.28 22.2 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -65.62 143.25 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 49.78 -105.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -127.87 14.91 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.33 -126.08 35.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 84.6 tttt -83.47 54.83 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.293 . . . . 0.0 111.157 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.4 tt -70.01 139.79 88.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 172.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 92.4 Cg_endo -67.46 148.25 78.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.72 1.613 . . . . 0.0 111.181 170.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -56.59 -35.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -64.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.217 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -168.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.16 -39.51 92.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -71.85 -40.4 69.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.239 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.97 -42.05 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.426 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.7 mtt -58.44 -47.32 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.0 mt -74.53 -37.43 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -171.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -66.55 -23.34 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -87.64 -32.49 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.53 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 56.33 40.22 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -115.66 90.68 3.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -53.9 127.32 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.78 -25.54 25.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.77 148.62 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -143.66 157.22 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -172.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.0 tt -127.83 114.5 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.2 129.19 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -141.75 166.29 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -88.14 135.52 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -61.1 140.45 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -83.57 -13.01 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.9 p -109.67 -22.31 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.94 75.78 47.62 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.92 140.27 58.79 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.218 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.47 -21.98 40.61 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -104.52 156.46 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -105.24 155.37 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -119.03 151.44 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.245 160.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 3.5 tt -122.41 112.09 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 175.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.2 p -107.9 127.69 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -172.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 15.4 tptp -89.78 88.97 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -105.35 132.17 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.22 -123.75 31.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -168.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -113.9 11.27 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -135.81 129.01 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.94 130.75 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -108.0 146.21 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.02 124.2 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.263 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 12.8 m-30 -106.38 137.85 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 175.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -72.49 126.38 29.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.84 110.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 171.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 mt -109.94 141.97 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 -163.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -79.87 134.37 36.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 41.1 p30 -94.29 -174.75 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.217 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.81 -1.04 86.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.46 43.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 111.145 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.9 10.53 72.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -167.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -108.27 176.2 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 111.22 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -125.18 144.52 50.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -138.25 169.22 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.43 -67.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CE2' HD22 ' A' ' 66' ' ' LEU . 93.6 m95 -91.83 -91.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -172.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.85 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.261 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.43 138.65 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 167.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 12.1 ttpt -139.81 140.51 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 175.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.29 -166.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.71 -20.12 54.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -174.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.9 t -154.39 149.4 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp -44.0 -38.11 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 165.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -74.33 -3.86 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.219 -172.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -103.85 -38.19 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -72.12 -26.99 62.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.82 -25.53 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 172.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.77 -42.09 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 171.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -53.54 -47.05 70.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -90.16 20.35 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -93.95 -48.39 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 164.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.5 p -76.07 -21.38 56.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.233 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -129.96 142.92 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 p -60.31 162.9 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.44 -14.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -157.57 154.54 28.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -174.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.51 -23.25 58.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -112.41 -40.98 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.269 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -96.16 69.81 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.01 65.9 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -159.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' CG2' HG21 ' A' ' 45' ' ' VAL . 63.2 mt -94.51 140.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -113.93 149.39 35.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.77 90.59 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -103.4 165.2 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -171.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 171.101 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.14 146.75 68.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.26 173.36 14.3 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.255 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 138.0 80.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.68 -11.39 24.06 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -66.18 145.77 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -107.11 140.19 40.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -91.89 21.17 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 9.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -39.37 -56.84 2.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 46.7 tptt -111.03 47.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.212 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 tt -74.88 139.9 73.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 164.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 90.3 Cg_endo -68.89 149.17 72.05 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.75 1.633 . . . . 0.0 111.151 169.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.9 -35.38 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.223 171.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.51 -63.17 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 173.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -71.34 -38.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -168.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.99 95.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -70.43 -38.5 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.82 -46.18 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.42 ' CE ' HD11 ' A' ' 11' ' ' ILE . 58.5 mtm -63.83 -38.73 92.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.8 mt -66.63 -31.22 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -83.05 -24.9 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.84 -38.68 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 164.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.7 tp-100 -70.4 145.62 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 164.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.88 -12.82 10.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.82 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -51.57 139.53 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.1 -35.7 4.88 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 153.57 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -146.67 161.63 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -172.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.59 115.73 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.9 mt -92.23 132.38 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 25.1 ptt-85 -147.44 163.83 35.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.3 137.42 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.243 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -58.5 141.34 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.64 -1.47 57.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -116.93 -24.87 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.4 79.46 25.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.242 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.21 140.5 51.38 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.625 1.55 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.99 -34.7 5.41 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -96.96 156.39 16.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.181 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -110.92 159.94 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -118.6 152.73 35.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 165.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -121.72 111.19 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -98.9 110.4 23.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.8 p -104.88 123.82 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -171.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 4.4 tptm -86.13 93.55 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.272 175.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -129.99 129.65 44.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 36.33 20.2 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 61.02 20.72 11.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -148.87 173.99 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.5 t -118.8 124.53 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.264 -174.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -96.37 147.96 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.522 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -109.98 118.49 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -105.51 150.75 25.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -90.6 123.41 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.92 106.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.98 146.5 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 -164.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -77.93 140.75 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 173.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.8 p30 -92.91 -170.67 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 169.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.74 68.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -11.28 46.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 111.197 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.24 16.72 71.01 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -168.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -104.14 146.65 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -91.96 140.7 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -168.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -144.01 167.23 22.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -134.18 -63.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -91.05 -97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.29 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.87 -56.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.8 140.61 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 170.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.7 tptm -124.14 128.09 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -116.55 -172.26 2.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.34 -26.18 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.6 p -158.22 162.8 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -47.6 -41.6 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.228 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.22 -23.06 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -87.13 -42.96 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -74.08 -29.43 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -172.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.36 -25.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -74.33 -40.25 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.0 -47.33 74.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 167.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -86.72 15.32 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -90.83 -48.65 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 164.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.9 p -75.82 -20.39 58.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.0 m -132.62 145.66 51.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 p -57.15 163.65 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.34 -13.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -167.02 159.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.255 -171.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.93 -20.58 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 171.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -113.32 -40.12 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -92.84 94.81 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -77.71 75.68 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 -165.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.542 ' CG2' HG21 ' A' ' 45' ' ' VAL . 6.7 mm -116.92 142.09 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 170.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -119.34 148.73 42.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 163.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -107.82 95.68 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.246 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -114.23 170.51 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -171.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 -178.873 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.39 127.59 91.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.37 160.15 39.24 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.678 1.585 . . . . 0.0 111.169 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -81.07 141.83 50.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.33 -8.23 15.07 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.677 1.584 . . . . 0.0 111.225 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -59.6 142.56 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 52.79 -100.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.21 15.89 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -172.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.89 -122.18 29.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -91.83 54.29 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 111.231 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 19' ' ' MET . 10.3 tt -65.62 139.78 97.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.217 173.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -67.95 147.44 74.21 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.739 1.626 . . . . 0.0 111.197 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -56.6 -34.64 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.63 -63.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -71.01 -39.36 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.267 -170.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -63.65 -31.84 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.245 -173.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -76.19 -47.17 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.91 -40.84 70.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 11' ' ' ILE . 47.4 mtm -64.85 -27.53 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 -174.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.0 mt -86.61 -34.05 19.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -73.28 -16.85 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -91.92 -28.43 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -65.55 -36.84 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 60.3 36.29 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -123.47 90.83 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 1.7 m-20 -61.38 132.23 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.53 -31.07 8.14 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 150.04 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -146.13 165.98 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.254 -173.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -133.75 128.3 34.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -104.94 129.99 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.1 ptt-85 -144.24 156.47 44.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -173.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -90.82 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -76.21 142.07 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.08 -17.74 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -91.22 -22.43 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.3 76.71 37.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.41 138.36 65.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.713 1.609 . . . . 0.0 111.256 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.38 -20.41 50.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -107.97 156.01 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -121.0 156.59 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -113.65 152.13 30.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 164.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -121.07 111.58 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 m -99.78 109.69 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.259 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.6 p -109.56 124.11 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -173.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.7 tmtt? -91.83 90.68 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -127.15 126.28 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.71 34.26 7.02 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 t30 59.12 27.05 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.149 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -159.02 169.93 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.165 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 96.5 t -113.58 124.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -94.55 148.02 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.618 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.1 t-80 -108.02 121.06 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.6 m-30 -105.55 148.5 27.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.209 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -88.65 126.92 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -108.54 117.94 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.4 144.49 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -159.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -83.15 138.77 33.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 45.8 p30 -91.7 -168.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.12 -16.73 64.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.95 -10.29 53.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.188 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.62 71.87 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -166.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -103.51 150.24 24.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -93.76 138.17 32.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -163.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.65 170.96 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.5 tt -136.54 -62.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -89.06 -103.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -166.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.56 -11.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.61 134.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -105.7 133.96 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -122.37 -173.98 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.8 -24.62 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -156.3 161.83 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.2 tp -53.05 -47.05 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.97 -33.11 70.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.254 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -73.57 -44.88 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -74.54 -28.4 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.35 -25.25 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.47 -39.75 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 170.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.04 -47.33 78.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.241 167.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 77' ' ' LEU . 66.8 m80 -82.1 9.6 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -90.18 -48.15 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.3 p -77.08 -21.52 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.95 141.6 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.166 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.3 p -60.01 157.93 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.96 -13.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -167.92 175.07 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -171.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -99.26 -13.43 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 170.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.51 -37.72 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.62 84.41 5.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -75.65 77.15 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -165.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.534 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -115.29 142.73 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 171.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -120.59 148.37 43.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 161.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.87 96.25 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -112.63 157.28 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 178.065 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.2 124.73 91.31 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.3 166.58 26.0 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.697 1.598 . . . . 0.0 111.19 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.24 138.35 86.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -90.02 -3.24 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.651 1.567 . . . . 0.0 111.182 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.487 ' O ' ' N ' ' A' ' 8' ' ' PHE . 85.9 m95 -71.29 112.49 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -156.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 t80 60.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 6' ' ' TRP . 20.2 m-85 -105.44 -28.29 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.06 -131.04 41.25 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -80.21 54.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 111.223 176.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 13.2 tt -67.1 138.47 94.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -69.17 152.28 72.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.684 1.589 . . . . 0.0 111.191 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.89 -36.79 68.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 171.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.8 -63.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -70.5 -38.71 74.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -170.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.3 -38.94 91.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.243 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.64 -40.66 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.93 -46.99 78.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.401 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.0 mtm -63.31 -39.6 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.86 -35.39 80.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.0 p -76.8 -11.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.26 -27.09 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -73.27 -43.07 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 53.78 29.95 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.21 96.11 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 28.3 t0 -58.56 122.34 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 -177.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.99 -27.82 12.23 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 159.65 21.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 111.245 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -148.09 157.55 43.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.7 tt -124.28 113.49 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 169.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -90.68 130.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.2 ptt85 -144.87 166.84 24.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -88.96 136.22 33.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -66.31 142.22 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -82.3 -32.48 29.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.4 p -85.23 -22.78 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.25 76.23 44.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.28 140.68 61.75 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.726 1.618 . . . . 0.0 111.157 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.12 -25.07 29.69 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.41 155.7 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -110.93 154.54 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -114.92 156.35 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 167.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 4.6 tt -125.56 108.32 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -100.36 108.65 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -104.99 125.92 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -169.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 49' ' ' ASN . 11.0 tppt? -85.98 92.98 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.184 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -102.9 128.42 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 61.2 -118.61 15.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -163.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.7 m-80 -114.61 2.98 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -110.69 158.75 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 60.7 t -110.42 132.67 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -109.23 147.2 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -105.39 120.86 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 66' ' ' LEU . 10.2 m-30 -103.22 165.09 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 172.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -116.78 116.33 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.93 98.14 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -102.84 144.65 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -160.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -88.8 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.21 171.92 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.28 -16.65 54.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.84 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.221 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.73 -3.79 86.01 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -77.49 144.25 37.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.09 140.62 37.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -146.9 166.8 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.197 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -128.18 -62.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -96.59 -91.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -135.43 -61.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.14 137.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -126.62 127.42 45.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -107.5 -176.09 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.04 -24.33 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 t -152.06 150.94 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.2 tp -47.15 -35.75 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 168.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.64 -9.38 58.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -173.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -98.22 -39.84 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.1 pp -72.22 -27.48 62.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -177.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -72.82 -26.04 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -74.57 -41.51 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 168.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.01 16.39 8.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -91.16 -45.5 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 163.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.1 m -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.9 m -119.83 136.13 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.34 149.16 13.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.7 -18.31 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.0 t -147.5 149.59 32.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.19 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.73 -19.51 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -106.22 -32.85 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.08 97.29 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.07 74.98 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -169.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.491 ' CG2' HG21 ' A' ' 45' ' ' VAL . 54.6 mt -114.27 122.88 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -116.58 116.3 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.71 80.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -170.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -83.79 152.69 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 173.912 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.14 128.21 93.69 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -76.29 166.16 28.11 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.737 1.625 . . . . 0.0 111.232 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -76.68 138.54 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.36 -8.97 15.11 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.668 1.579 . . . . 0.0 111.2 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -59.23 141.08 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 52.34 -99.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.63 15.26 4.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -171.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.96 27.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.65 56.13 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 111.167 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.0 tt -68.64 139.72 91.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 173.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.9 Cg_endo -68.21 147.11 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.626 1.551 . . . . 0.0 111.227 170.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.08 -34.87 66.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 171.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.16 0.7 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -70.8 -38.83 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.214 -169.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.253 -174.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -73.4 -39.01 65.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.4 -46.03 87.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 58.1 mtm -61.78 -41.36 97.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 80.0 mt -62.78 -42.84 99.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -66.17 -20.99 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -82.05 -31.77 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 168.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.571 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 5.3 tp-100 -79.53 108.26 12.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 176.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.04 1.98 41.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -170.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -84.68 100.1 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.49 145.87 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.45 -22.71 39.38 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 149.61 47.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.172 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -145.92 164.24 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -173.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.0 tt -131.52 118.84 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.1 128.77 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 30.9 ptt-85 -142.24 156.22 45.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.269 -172.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -89.16 136.97 32.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -76.41 142.82 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.05 -30.77 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.4 p -78.16 -22.82 48.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.46 77.35 40.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -54.31 138.42 72.73 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.693 1.595 . . . . 0.0 111.2 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -19.83 52.56 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -105.93 158.13 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.154 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -123.01 157.33 32.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.3 m -111.75 155.25 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 163.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.0 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 m -97.06 113.29 24.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG21 ' CG2' ' A' ' 92' ' ' ILE . 14.9 p -111.72 126.93 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 -172.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 54.5 tttt -93.08 99.98 12.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 171.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -129.32 113.36 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 167.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.89 32.07 5.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 59.49 27.8 17.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -158.28 158.7 34.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.2 t -109.05 130.55 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 -167.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -106.17 144.47 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.4 t-80 -104.34 119.16 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -105.14 164.85 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -114.41 118.99 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.21 108.25 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.86 150.66 38.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 -163.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -78.6 138.6 38.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 43.9 p30 -96.05 -172.85 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 170.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.52 -3.77 78.92 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -173.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 -10.0 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 111.236 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.28 72.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -168.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -106.19 153.57 21.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.226 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -96.46 140.45 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -142.88 167.51 21.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.8 tt -135.19 -56.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -94.82 177.03 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -64.31 -24.84 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 164.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.16 130.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 164.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.3 tptm -134.4 134.46 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -125.1 -176.61 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 168.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.89 -23.35 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.6 t -152.55 149.53 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.184 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.0 tp -44.8 -40.23 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.244 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.54 -23.5 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -173.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.2 -41.66 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -73.86 -30.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -172.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.38 -25.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.5 -41.68 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 173.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -55.82 -48.48 75.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 168.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -84.97 11.96 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -89.54 -44.66 9.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.252 164.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -81.03 -22.15 39.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.9 m -130.76 140.16 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 t -59.03 146.67 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.75 -19.69 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 t -153.96 154.57 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -169.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.31 -24.79 62.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -109.47 -37.67 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.88 90.66 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.87 81.34 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.565 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.2 mm -109.87 129.99 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -121.57 112.36 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.08 78.73 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.259 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -91.42 159.01 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 177.819 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.805 0.335 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 88.6 tttt -84.01 121.94 75.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 65.2 Cg_exo -58.02 156.22 30.1 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.673 1.582 . . . . 0.0 111.165 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -86.16 114.67 58.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.215 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -77.63 46.53 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.711 1.607 . . . . 0.0 111.207 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' GLY . 53.3 m95 -133.62 124.47 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -175.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.24 139.94 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.0 m-85 -96.3 25.4 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 13.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -40.26 -57.97 2.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -108.58 32.82 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.191 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 13.5 tt -64.69 137.26 97.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.26 149.41 45.47 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 168.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -59.28 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.13 -37.09 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -100.48 -43.37 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.24 -35.55 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.42 -48.24 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.229 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 mtm -59.97 -45.12 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 98.6 mt -64.16 -37.91 89.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -74.75 -11.15 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.45 -30.19 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.27 -39.7 86.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 60.01 22.71 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -98.51 86.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.87 129.33 37.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.94 -29.64 10.49 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.54 159.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 111.214 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -147.89 158.19 43.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -126.6 113.84 17.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 170.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -92.78 128.54 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.4 ptt85 -144.08 150.0 37.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -171.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.68 138.56 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -70.87 143.77 50.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.49 -19.99 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.5 p -95.67 -23.73 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.84 79.87 26.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.53 137.4 57.8 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.711 1.607 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.46 46.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.75 157.99 16.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.195 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -113.17 155.16 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -107.05 152.58 23.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 160.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -118.45 107.93 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.206 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -99.54 105.18 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.628 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.2 p -100.17 124.69 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 -165.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptp -77.32 87.27 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -117.19 128.15 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.66 -133.85 47.26 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -170.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.94 21.99 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.33 174.59 10.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.256 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 46.0 t -125.12 118.31 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -94.57 152.14 18.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.615 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.7 t-80 -109.53 116.54 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.5 m-30 -103.01 147.85 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 170.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -94.67 120.06 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.33 105.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.22 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.22 146.31 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 -160.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -78.5 139.13 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 172.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -92.75 -170.2 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 171.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.06 -11.63 67.25 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -10.37 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.57 16.9 72.23 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.25 147.27 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 111.208 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -91.34 139.27 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -167.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -143.64 171.22 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.492 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.36 -58.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE2' HD22 ' A' ' 66' ' ' LEU . 80.9 m95 -97.38 170.69 8.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.08 -44.09 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 163.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.74 127.17 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 163.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -143.25 145.19 32.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.24 -168.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 172.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -63.85 -24.56 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.3 p -153.43 160.35 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.54 -44.18 65.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.194 170.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.73 -35.98 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.9 -43.89 56.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -73.37 -29.92 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 -170.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.61 -26.54 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.44 -41.42 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 170.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -56.53 -49.21 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 168.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.47 11.73 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -89.65 -41.48 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 163.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -66.92 -38.41 86.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -128.57 138.95 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -57.2 148.33 22.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.9 m -69.46 -21.91 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -168.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.05 -5.0 58.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -114.65 -30.69 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -110.36 144.48 39.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -98.89 79.14 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.6 mt -119.05 110.69 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 -173.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -113.17 109.98 19.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.216 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.35 79.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -169.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.56 146.34 34.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.98 129.67 94.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.97 169.46 22.1 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.729 1.619 . . . . 0.0 111.254 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -69.14 136.91 89.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.229 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.78 -11.38 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.736 1.624 . . . . 0.0 111.278 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -59.0 137.58 57.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 51.62 -99.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -174.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.72 9.54 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 -170.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.2 -128.74 48.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -82.03 62.71 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 tt -77.1 136.98 65.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 174.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.01 147.67 55.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.682 1.588 . . . . 0.0 111.17 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -58.38 -30.14 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -99.52 -42.48 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.02 -40.56 96.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.9 -35.09 57.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.21 -46.6 88.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 172.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -63.57 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.49 -43.21 93.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.2 p -65.2 -18.34 65.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.57 -10.23 38.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -77.97 -26.06 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 53.37 38.88 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -139.95 101.91 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.247 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.46 140.13 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -29.67 11.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.73 146.66 45.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.36 164.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -172.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.8 tt -136.2 124.17 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.14 130.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OG ' ' A' ' 44' ' ' SER . 33.7 ptt-85 -144.79 157.86 44.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -172.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -88.25 135.0 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -65.92 141.46 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.34 -9.35 56.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 172.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -105.22 -23.44 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.35 76.71 55.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.7 138.93 68.07 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.684 1.589 . . . . 0.0 111.182 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.82 -21.82 44.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.9 155.87 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 111.214 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -115.48 153.06 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.9 m -109.06 154.34 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 161.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -121.99 110.74 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.637 ' OG ' ' NH1' ' A' ' 32' ' ' ARG . 62.9 m -94.8 116.48 28.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.9 p -116.95 130.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -99.0 102.05 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -128.27 125.68 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.236 167.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.54 23.07 44.58 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -172.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 62.56 17.47 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.02 134.29 38.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 64.8 t -85.49 123.3 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 -170.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -94.58 161.03 14.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.158 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -118.14 126.04 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -108.09 165.93 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -115.81 117.74 31.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.216 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.04 102.45 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 mt -110.68 148.39 32.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -162.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.53 138.04 36.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 166.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -89.5 -170.45 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -13.76 63.28 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.89 -14.52 41.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.39 9.83 78.53 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -166.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -89.27 138.89 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -88.51 136.3 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -146.23 168.88 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 173.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.96 -60.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -93.8 -96.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -171.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.0 -15.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -177.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.74 135.99 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.208 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -112.57 134.64 53.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -115.94 -171.56 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.68 -26.92 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -156.98 154.49 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.258 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -46.51 -36.7 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 166.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.94 -7.2 51.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -98.77 -40.02 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -72.37 -28.13 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.256 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.97 -25.97 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.38 -42.82 53.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -53.5 -46.21 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -91.34 22.46 3.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.23 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -96.38 -50.77 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 164.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -73.63 -20.74 60.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.0 m -130.78 144.45 51.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -57.6 162.41 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.176 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.31 -16.19 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.247 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -164.7 156.78 15.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.09 -20.88 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 172.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -112.84 -40.93 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.11 93.69 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.214 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -77.73 75.96 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -164.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.9 mm -114.8 142.89 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 172.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.08 151.11 40.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 161.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -108.13 94.04 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -107.88 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.31 129.03 92.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.29 172.83 15.52 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.718 1.612 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -64.99 134.92 96.21 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.28 -9.71 20.49 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.644 1.562 . . . . 0.0 111.205 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -64.01 141.26 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 48.82 -105.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -126.08 15.8 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.23 -172.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.4 -128.94 45.57 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -84.3 59.07 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.176 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -68.23 139.68 92.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 168.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -67.51 146.88 75.72 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.146 171.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -55.87 -35.26 66.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.32 -64.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 171.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.92 -38.85 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -168.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.24 -43.92 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -175.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -69.97 -38.13 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.99 -45.77 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 62.9 mtm -65.65 -37.28 86.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.7 mt -66.57 -29.12 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.04 -20.49 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.02 -39.31 79.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.221 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.4 tp-100 -69.21 145.59 53.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 162.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.73 -17.11 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -58.91 124.91 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -83.43 139.98 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 173.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.91 -20.66 38.08 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -62.46 156.43 22.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -149.7 158.23 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -124.6 112.62 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 170.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -90.95 131.03 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.9 ptt-85 -144.17 159.58 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -172.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.73 136.3 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -70.82 137.39 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.232 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -82.05 -32.22 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -71.64 -34.78 70.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.34 79.7 73.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.56 140.12 65.51 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.745 1.63 . . . . 0.0 111.241 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.02 -35.11 5.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -91.2 160.83 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.236 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -114.13 154.72 27.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.232 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -109.43 155.03 21.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 157.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -122.56 108.47 13.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.234 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 m -99.8 109.07 21.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.222 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.586 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -103.89 124.46 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -169.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ALA . 3.0 tptm -88.53 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -129.75 121.33 26.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.43 35.56 6.53 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.13 27.67 15.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.143 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -156.91 171.45 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 39.8 t -118.09 132.33 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -109.32 143.84 38.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.205 170.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.537 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -102.94 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.18 -176.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.4 m-30 -107.83 164.64 12.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 175.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -113.8 117.86 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.7 t -108.46 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -114.91 144.99 42.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -163.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -77.37 145.16 37.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 50.1 p30 -93.85 -170.06 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 165.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.21 -9.53 72.43 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.93 46.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.79 69.38 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.91 147.39 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -97.57 141.16 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -163.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -144.19 171.65 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.229 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.522 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.76 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD2' HD22 ' A' ' 66' ' ' LEU . 98.9 m95 -89.96 -97.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -166.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.3 -58.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.45 137.64 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 161.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -128.23 144.36 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -120.08 -174.68 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -62.23 -23.72 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 -167.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -153.99 161.84 41.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.217 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.7 tp -52.85 -47.78 67.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.222 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.52 -28.2 68.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -78.72 -43.27 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.9 pp -74.79 -29.78 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -171.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.12 -23.74 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.34 -40.85 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 172.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 167.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -84.3 12.05 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.191 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -90.39 -47.71 7.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 164.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 m -67.68 -38.95 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -119.93 137.19 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -55.95 148.42 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.225 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 m -69.93 -19.75 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 t -154.74 155.33 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.28 -12.88 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.33 -32.93 5.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -107.83 93.56 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -75.53 80.27 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -170.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.586 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.3 mm -109.83 129.96 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.21 110.57 15.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.83 77.17 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -89.2 150.58 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 176.211 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mtp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.41 130.55 94.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.85 155.43 53.48 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.706 1.604 . . . . 0.0 111.208 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -60.07 133.82 90.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.49 68.25 8.18 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.759 1.64 . . . . 0.0 111.141 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -149.56 148.16 29.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.8 t80 60.94 -121.57 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.4 0.08 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.222 172.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.37 -122.76 25.47 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -78.9 67.36 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 111.175 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tt -77.44 136.18 64.63 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -71.32 146.88 51.86 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.592 . . . . 0.0 111.215 169.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -57.39 -34.0 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -35.62 -53.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 170.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -85.39 -41.15 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.02 -45.37 95.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.08 -39.17 89.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.57 -47.99 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 mtm -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 93.8 mt -73.54 -33.96 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 -18.79 58.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.79 -37.2 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 166.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.99 138.16 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 165.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -116.69 39.73 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 36.4 p-80 -136.13 115.89 13.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.227 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.49 136.22 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.46 -25.08 8.81 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.22 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -148.48 159.01 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.0 tt -133.8 128.2 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -103.62 127.43 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -143.05 163.59 32.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -77.07 137.51 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.3 t -85.33 118.29 24.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.28 -32.6 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.2 p -78.43 -10.0 59.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.4 71.97 6.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -53.98 139.6 70.08 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.675 1.583 . . . . 0.0 111.245 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.25 -31.13 8.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -173.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.51 156.21 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -110.98 156.76 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -172.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -113.68 154.37 27.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 163.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -122.89 112.53 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -101.67 109.55 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.5 p -110.33 122.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -169.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -88.65 84.13 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -111.13 136.63 49.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.47 34.86 56.75 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.7 t30 57.62 31.59 20.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.19 160.53 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 100.0 t -109.35 121.63 62.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -169.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -105.7 149.83 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.248 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -106.36 122.93 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.7 m-30 -106.74 154.83 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.28 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -93.88 133.2 37.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.45 103.04 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 173.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -109.85 145.07 37.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -165.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -76.2 142.03 41.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.253 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 49.6 p30 -91.42 -169.02 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 170.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.56 -15.54 64.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.42 -10.99 53.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.227 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.47 71.96 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.52 145.4 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.22 141.53 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -165.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -144.95 159.28 43.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 167.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 67' ' ' TRP . 3.6 tt -102.38 -70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.426 ' CD1' HD22 ' A' ' 66' ' ' LEU . 19.3 m95 -102.14 -87.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.32 -35.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 137.83 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -132.53 127.43 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 -176.066 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -119.08 179.72 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 168.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.0 -22.13 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.3 p -150.76 157.87 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.4 tp -52.05 -42.07 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -57.59 -36.92 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.67 -37.93 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -83.05 -21.13 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -170.265 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.41 -20.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.17 -39.55 68.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 166.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.1 -49.22 77.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 167.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -77.6 4.27 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -88.12 -50.46 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -71.55 -34.92 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.5 m -119.83 141.01 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.1 p -59.57 152.77 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.03 -12.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.227 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -153.2 152.1 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.5 -22.89 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -110.03 -32.18 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -109.45 94.0 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.15 68.72 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 -168.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG2' HG21 ' A' ' 45' ' ' VAL . 59.7 mt -102.84 137.97 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.74 151.58 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 mt -103.02 89.9 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -110.99 143.72 41.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.25 -168.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -179.536 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.757 0.313 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.79 147.46 81.1 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.9 171.93 17.33 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.675 1.584 . . . . 0.0 111.081 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -68.43 134.57 90.9 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -79.58 -9.06 14.83 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.662 1.575 . . . . 0.0 111.176 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -59.42 137.89 57.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -174.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 53.75 -99.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.15 12.63 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -173.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.37 -125.77 38.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.64 55.81 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 111.231 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 8.9 tt -69.99 139.31 87.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -68.09 146.87 72.03 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.785 1.656 . . . . 0.0 111.132 170.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -55.98 -34.56 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.23 -63.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 171.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.56 -39.11 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -169.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -38.63 90.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -174.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -73.28 -40.9 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.76 -46.09 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.4 mtm -60.55 -41.9 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.242 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 46' ' ' LYS . 89.4 mt -65.85 -34.98 79.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.8 p -78.75 -12.91 60.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.93 -33.02 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 165.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.25 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 50.01 49.96 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -128.33 99.09 5.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 94.7 m-20 -60.01 132.61 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -34.37 5.84 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 151.35 47.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.181 -175.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.73 165.02 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -130.33 120.53 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 170.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.8 mt -97.88 131.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.0 ptt-85 -145.05 164.09 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -93.73 135.14 35.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 174.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 t -70.38 142.25 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -88.62 -8.05 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -100.29 -28.8 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.22 76.88 68.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.24 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.25 139.44 63.47 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.684 1.589 . . . . 0.0 111.219 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.28 -26.32 24.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -98.89 151.96 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -109.52 159.58 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -118.81 153.07 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 164.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -122.5 110.01 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 m -99.71 110.07 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -103.11 123.43 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -171.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.8 tptt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.273 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -129.82 130.15 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 172.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' ASP . . . 78.57 27.1 57.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 61.49 7.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' GLY . 21.9 t0 -112.08 170.04 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 167.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.8 t -119.0 128.63 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -110.01 144.65 38.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.254 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.8 t-80 -102.92 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -173.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -105.37 149.33 26.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -93.91 119.97 33.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.43 106.46 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.38 144.39 39.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -158.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -65.77 139.46 58.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.79 173.56 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 -16.88 61.9 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.28 59.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.96 88.77 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -82.93 168.86 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.21 143.66 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -144.74 169.8 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.84 -63.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -88.4 172.97 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.235 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.25 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 162.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.4 t -79.52 123.74 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 163.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -139.27 141.0 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.1 -167.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -58.0 -25.63 61.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -170.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.6 p -156.47 163.49 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 tp -51.69 -44.04 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 170.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.91 -36.2 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -70.44 -44.36 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -75.5 -30.15 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.08 -26.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 175.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.92 -41.66 64.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.01 -49.15 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 168.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -84.11 10.72 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -87.79 -45.64 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.3 p -81.8 -21.2 37.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.8 m -132.39 142.35 49.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.9 p -62.49 156.62 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.42 -13.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -160.99 155.55 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.37 -25.7 62.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -113.87 -40.42 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.19 70.2 2.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -82.08 66.81 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -156.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.9 mm -79.35 141.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.249 171.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -116.27 148.81 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -110.91 105.46 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.51 152.13 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.533 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.848 0.356 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.54 129.25 94.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -76.22 168.0 24.8 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.171 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -68.74 137.96 90.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.49 -11.72 20.6 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.7 1.6 . . . . 0.0 111.191 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.19 138.94 57.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 52.37 -99.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.246 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -133.1 9.68 4.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -171.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.44 -128.02 45.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.16 60.69 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 111.217 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -69.89 139.52 88.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 167.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.6 Cg_endo -67.13 146.05 75.18 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.622 1.548 . . . . 0.0 111.253 170.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.85 -34.39 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.59 -65.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -70.19 -38.85 75.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.225 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.51 -40.77 95.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -72.33 -40.23 67.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.88 -46.9 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.6 mtm -61.21 -44.12 97.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.5 mt -62.31 -36.47 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.3 p -75.63 -3.34 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.02 -24.25 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 170.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -70.6 -40.52 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 60.07 26.87 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -104.15 94.8 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.52 128.75 35.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.12 -23.81 29.64 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.45 162.3 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.165 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -155.46 156.94 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -123.71 118.71 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 174.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.4 mt -99.1 130.05 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -143.55 164.63 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -91.7 135.03 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -68.46 141.62 55.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -85.86 -31.69 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -80.58 -22.25 40.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.79 75.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.94 139.81 69.59 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.697 1.598 . . . . 0.0 111.243 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.99 -22.02 43.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -102.26 153.8 19.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 111.238 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -172.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 m -124.5 153.2 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 166.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.97 111.25 16.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -99.73 111.57 23.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -102.31 125.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 -167.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.3 tptp -77.55 85.31 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CD2' HG12 ' A' ' 92' ' ' ILE . 8.3 t80 -112.62 120.39 41.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.47 -136.59 39.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -169.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.54 21.38 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.04 176.0 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.248 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 t -124.59 125.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.98 167.75 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 174.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.682 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -129.51 115.15 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -172.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -96.77 141.5 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -81.64 120.66 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.0 92.3 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -107.21 150.07 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -158.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -76.88 136.57 38.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 168.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -90.77 -168.58 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.34 -16.78 63.16 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.09 -12.19 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.273 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.84 13.93 76.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -165.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.38 143.68 27.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.26 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -86.58 136.98 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -140.87 160.06 40.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 171.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 7.2 tt -122.08 120.0 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 27.4 m95 55.23 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.36 -10.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.03 139.51 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.243 -168.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -149.53 139.87 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.87 -164.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -55.45 -28.06 52.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.13 153.58 29.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' ' 74' ' ' LEU . 6.9 tt -57.53 -28.25 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.199 173.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -59.44 -19.65 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.23 -31.61 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.275 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -79.79 -25.04 41.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.36 -27.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.62 -41.06 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -56.01 -48.41 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 167.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -82.29 8.86 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -94.22 -50.02 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -69.57 -37.55 77.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -117.99 139.32 51.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.1 p -59.97 153.22 21.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.56 -28.37 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -157.26 158.12 35.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.12 -26.6 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -99.7 0.08 41.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -139.12 101.36 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.44 67.89 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 -173.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.4 mt -117.67 125.35 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -174.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -122.83 109.95 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.65 81.26 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -170.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -77.99 148.11 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.172 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.09 144.47 98.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.62 160.34 41.38 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.689 1.592 . . . . 0.0 111.243 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -44.36 116.78 2.68 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.6 54.72 3.21 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.728 1.619 . . . . 0.0 111.162 -168.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -140.34 149.43 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.217 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 48.99 -105.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -114.21 -2.14 13.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -172.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.48 -118.91 12.67 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -81.95 65.78 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 7.9 tt -70.05 139.92 88.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 172.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.0 Cg_endo -67.67 148.4 77.75 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.701 1.601 . . . . 0.0 111.173 169.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -56.01 -35.45 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -71.49 -38.33 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -168.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.97 95.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.7 -40.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.44 -47.14 82.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mtm -60.46 -45.52 93.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 90.8 mt -62.82 -36.95 84.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.4 p -71.82 -7.44 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -99.54 -24.95 14.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.07 -41.32 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 60.1 26.51 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -102.95 95.15 5.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.38 128.3 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.82 -29.66 11.39 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.54 152.22 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -146.48 155.95 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -171.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.46 113.62 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -94.01 128.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CB ' HG22 ' A' ' 11' ' ' ILE . 40.7 ptt85 -141.42 156.58 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -88.14 136.32 33.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.238 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -71.24 141.76 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.188 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -82.56 -33.37 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -79.59 -22.41 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.63 75.5 43.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.08 139.78 70.92 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.788 1.659 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.54 -20.55 50.26 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -106.06 155.48 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -120.01 154.53 34.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 m -113.85 156.9 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 164.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.49 111.08 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -101.44 109.51 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -107.01 125.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.264 -167.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 24.5 tptp -82.64 86.62 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -102.24 126.71 49.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.99 -131.78 45.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -171.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.56 2.99 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -113.77 171.1 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.19 123.77 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 172.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -96.77 148.5 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.482 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 3.4 t-80 -110.04 118.26 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -103.44 154.08 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -100.58 126.15 47.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.71 95.06 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.9 mt -110.02 151.04 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -159.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -78.48 137.19 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -90.93 -168.96 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.219 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.28 -15.77 63.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -175.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.32 -12.56 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.686 0.279 . . . . 0.0 111.139 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.23 12.87 78.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -165.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -94.95 141.29 28.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -89.01 135.59 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -170.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -141.21 161.92 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.232 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 6.7 tt -120.82 121.14 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 24.4 m95 56.19 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -169.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.7 -6.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.23 135.59 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -167.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -133.53 129.93 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.74 -173.51 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 170.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -55.74 -26.28 44.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.0 t -155.22 151.0 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.66 -33.36 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 167.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.37 -7.85 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -101.74 -43.87 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.3 pp -67.44 -21.02 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.45 -26.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.02 -38.47 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -55.86 -48.55 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 167.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -78.13 1.67 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 -88.16 -47.15 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.4 p -83.03 -20.96 34.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.4 m -130.77 140.84 50.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.0 p -61.38 150.12 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.72 -23.74 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.266 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 t -149.42 153.73 37.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -172.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.84 -25.26 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -106.96 -34.26 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -174.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -107.83 92.58 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -77.64 66.52 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -166.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.407 ' CG2' HG21 ' A' ' 45' ' ' VAL . 53.4 mt -99.87 137.4 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.77 154.11 29.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.209 174.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -106.44 105.59 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.216 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 96' ' ' ASP . 75.2 mtt85 -112.63 160.03 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -173.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 27.0 t0 . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.874 0.369 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.03 129.52 93.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.41 169.45 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.678 1.585 . . . . 0.0 111.226 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -70.32 137.03 86.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.66 -11.46 20.3 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.789 1.659 . . . . 0.0 111.227 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -59.92 136.09 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 51.98 -98.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.42 11.08 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -172.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.46 -131.97 51.25 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.8 62.36 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.258 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -75.73 137.08 70.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.64 147.77 57.95 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.686 1.591 . . . . 0.0 111.196 169.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -61.24 -20.79 63.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.02 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 11' ' ' ILE . 23.7 mmmt -90.09 -55.21 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -60.87 -26.96 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -163.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -88.59 -33.88 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -60.62 -37.04 80.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 172.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.3 mtt -63.05 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 mt -85.24 -33.98 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -168.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -70.41 -15.92 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.76 -30.91 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.86 -38.47 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.207 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 59.93 30.59 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.67 96.78 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.613 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 35.0 p30 -64.12 123.25 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -173.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.04 -19.58 43.19 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 150.41 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.3 tt -130.63 119.36 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.171 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.88 130.18 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -145.41 168.26 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 -170.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -92.11 139.13 30.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.182 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -73.26 140.48 46.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -87.72 -10.49 50.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 100.0 p -97.82 -23.74 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.92 77.54 37.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.196 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.47 138.0 65.64 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.647 1.564 . . . . 0.0 111.202 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.63 -25.58 27.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.71 154.28 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 111.243 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -109.88 159.99 16.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.285 -174.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -120.41 154.89 34.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 164.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tt -121.28 109.97 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -97.81 109.65 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.0 p -107.03 126.07 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -171.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.6 tptp -89.08 90.83 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.26 175.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -113.85 136.12 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.68 -128.13 37.57 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -105.26 2.25 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -114.05 169.57 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 -173.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 87.8 t -118.21 126.12 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 168.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -101.55 149.45 24.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.557 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -107.49 119.87 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -106.22 147.56 28.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.256 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -93.26 119.98 33.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -105.53 105.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -111.67 147.66 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -159.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -74.36 136.86 42.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -96.37 -173.0 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.212 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.28 -2.61 79.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.28 -12.84 31.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.97 10.59 71.74 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -99.32 162.08 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -142.48 168.2 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -136.83 -60.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CD2' HD22 ' A' ' 66' ' ' LEU . 71.3 m95 -92.18 174.65 7.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.53 -23.78 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 165.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.98 130.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 165.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -134.53 132.53 39.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -123.75 -171.55 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.32 -21.14 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.4 p -153.23 159.76 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.4 tp -51.13 -42.54 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.66 -39.96 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.26 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -75.88 -30.11 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -167.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.71 -26.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.63 -42.7 64.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -53.65 -46.45 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 169.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -90.21 20.88 4.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -92.22 -48.26 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 163.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -79.2 -18.59 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.55 146.58 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.2 p -55.82 158.58 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.08 -26.01 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -163.9 -174.22 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -103.81 -9.47 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.73 4.32 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -171.79 108.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -84.62 62.24 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -169.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.549 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.1 mm -84.66 142.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.76 141.72 50.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.8 mt -107.65 96.18 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.01 150.68 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -171.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.312 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -74.54 145.54 82.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.47 175.6 11.06 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.225 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -65.6 135.89 95.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -76.32 -9.94 19.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.714 1.609 . . . . 0.0 111.141 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -60.89 138.83 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 49.85 -104.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.236 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -128.34 15.01 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 -172.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.82 -128.47 43.15 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.19 59.61 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.705 0.288 . . . . 0.0 111.203 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -70.08 139.74 87.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 168.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 91.3 Cg_endo -67.62 146.56 73.9 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.623 1.549 . . . . 0.0 111.27 170.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.06 -35.24 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 172.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -63.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.166 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -71.44 -38.81 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -168.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.83 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -174.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -72.52 -39.46 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.69 -45.72 85.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.262 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 99.3 p -72.3 -24.27 61.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.41 -37.49 43.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.701 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.6 tp-100 -66.43 146.6 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 167.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -118.58 48.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -130.31 99.61 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -171.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.73 137.54 54.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 174.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 95.89 -22.17 40.87 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.15 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -144.37 162.75 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -172.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.22 112.41 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 171.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.63 132.74 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 33.9 ptt-85 -145.34 159.73 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -173.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.68 134.21 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 142.21 56.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -84.27 -33.45 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -79.51 -22.22 44.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.245 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.53 76.83 47.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -53.86 139.68 68.85 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.596 1.531 . . . . 0.0 111.229 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.82 -22.29 41.33 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.18 159.7 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.59 156.33 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -170.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -112.82 155.26 24.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 162.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.66 107.41 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -99.56 111.78 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -109.99 127.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -171.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.701 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 43.6 tttt -85.69 99.31 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 171.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -103.93 127.09 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.222 165.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.74 -122.28 27.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.3 5.74 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.184 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -112.65 156.95 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 48.2 t -112.35 131.97 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.0 142.54 41.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.56 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.2 t-80 -103.41 119.42 38.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -104.37 155.83 18.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -100.78 124.81 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -109.58 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.41 150.93 38.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -164.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -86.8 141.54 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -93.41 -171.61 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.69 -5.88 75.49 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.87 -11.75 38.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.215 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 15.43 70.8 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -167.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -102.78 149.17 24.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -97.0 139.63 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.99 169.24 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -135.42 -64.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -92.93 -96.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -138.9 -55.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.71 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.174 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -126.08 129.35 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.62 -174.03 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 173.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -72.03 -16.75 62.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 150.78 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.2 tp -43.62 -40.28 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 167.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.25 -20.94 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -90.21 -41.63 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -73.95 -29.36 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.6 -25.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -74.18 -40.69 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -55.66 -47.52 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -85.5 12.4 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -89.79 -46.65 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 163.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -66.58 -39.5 88.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -120.07 136.89 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.1 149.54 12.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.13 -18.57 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 t -150.46 152.87 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -171.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.09 -11.32 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 175.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -113.71 -31.78 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -109.6 94.06 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.242 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -75.12 75.5 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 -169.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 45' ' ' VAL . 46.8 mt -114.31 126.58 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.413 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 13.3 m-85 -117.35 118.22 31.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -76.14 80.46 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.243 -172.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -90.03 156.66 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 176.551 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.823 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.6 128.72 90.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.43 165.01 31.53 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.697 1.598 . . . . 0.0 111.189 -176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -69.96 137.76 87.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.44 -11.61 22.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.741 1.628 . . . . 0.0 111.238 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -60.87 140.04 57.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 51.11 -99.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -175.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.78 10.86 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.24 -127.56 43.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.52 59.85 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -70.0 139.83 88.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 168.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.0 Cg_endo -67.28 146.09 74.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.85 -35.28 66.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 172.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -71.02 -38.62 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -168.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.79 -40.58 95.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.71 -39.96 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.58 -46.99 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 57.9 mtm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.4 mt -64.72 -39.78 94.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -72.57 -12.27 61.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.26 -25.77 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 168.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.99 -41.74 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 59.92 32.44 21.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.92 94.69 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.9 129.73 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.26 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.67 -28.38 15.16 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.2 157.05 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.22 159.07 44.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -127.09 111.95 14.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.176 171.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.48 129.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 ptt-85 -142.3 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -89.99 135.24 33.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.7 t -68.33 140.85 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -84.62 -30.62 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -82.51 -22.21 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.33 74.88 47.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.77 140.31 67.37 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.741 1.627 . . . . 0.0 111.225 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.25 36.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.08 155.08 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.263 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -109.93 156.42 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 161.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.96 110.42 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 m -101.43 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.6 p -102.79 124.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -169.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.2 tptp -77.95 86.13 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.246 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG12 ' A' ' 92' ' ' ILE . 7.4 t80 -113.18 121.16 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.98 -132.49 43.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -167.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -101.7 10.85 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.214 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -131.5 151.34 51.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.0 t -107.15 119.01 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -92.49 151.81 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -110.54 125.8 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HB3' HD21 ' A' ' 66' ' ' LEU . 13.7 m-30 -110.86 144.44 39.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -84.14 116.76 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.12 107.28 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.232 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -109.85 137.66 47.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -163.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.29 135.89 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 40.7 p30 -95.47 -175.12 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.94 86.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.28 -11.63 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.1 9.78 72.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -166.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -102.5 168.54 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 111.195 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.4 147.44 46.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.19 168.29 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.512 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.6 tt -135.54 -66.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.208 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CD2' HD22 ' A' ' 66' ' ' LEU . 96.8 m95 -91.3 -96.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -167.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.27 -59.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.19 138.27 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 162.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 86.9 tttt -131.88 142.41 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.03 -171.68 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -64.91 -23.32 67.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.228 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.3 p -152.33 161.46 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.8 tp -50.36 -42.77 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.12 -36.81 75.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.24 -42.04 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.7 pp -75.58 -29.21 59.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -171.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.0 m -77.1 -26.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.244 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.46 -40.22 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -57.19 -49.33 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -85.24 16.63 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -93.0 -48.87 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 162.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -73.84 -20.65 60.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.3 m -131.73 144.56 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -58.46 159.13 6.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.87 -27.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -159.43 157.82 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.185 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.65 -26.62 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -97.3 -0.42 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -141.29 98.11 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -79.03 68.27 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.227 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.567 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.8 mt -115.39 122.43 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -119.73 110.34 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.231 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.58 79.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -82.14 159.85 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.37 129.25 93.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -76.61 170.83 19.15 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.666 1.578 . . . . 0.0 111.174 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.89 136.05 89.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.67 -10.26 20.08 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.699 1.599 . . . . 0.0 111.216 175.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -61.7 140.22 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 49.58 -104.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.98 15.36 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.276 -172.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.64 -129.23 44.11 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -82.41 60.11 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.1 tt -70.04 139.74 88.0 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 168.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 96.6 Cg_endo -67.29 146.06 74.24 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.209 170.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.82 -34.8 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 172.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.07 -64.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 171.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -70.8 -38.49 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.234 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -174.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -71.87 -40.26 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.282 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.62 -39.35 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.77 -35.89 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.7 p -78.22 -18.56 55.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.14 -34.49 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 167.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.5 tp-100 -67.84 147.1 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 165.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -119.02 64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -152.51 87.08 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 -168.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -58.18 132.72 54.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 -32.06 7.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -170.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.35 150.99 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.78 161.47 41.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -171.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.62 116.29 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 175.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.5 mt -95.94 131.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -143.94 165.3 28.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -89.31 136.41 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -71.3 139.35 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -83.53 -32.49 25.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 173.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 m -71.5 -35.03 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.3 78.93 73.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.34 140.52 73.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.699 1.599 . . . . 0.0 111.232 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.93 -23.41 36.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -99.07 155.77 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -109.72 155.73 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.244 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -120.09 152.83 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 163.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -124.43 109.99 13.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 m -98.16 114.6 26.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.6 p -110.23 126.32 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.668 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 48.3 tttt -90.57 101.71 14.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 171.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -129.93 120.03 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 166.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.37 7.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.8 t30 59.43 26.1 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.173 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -156.18 158.56 37.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 171.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 52.8 t -108.22 127.72 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -166.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -101.46 164.41 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.224 166.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -121.78 130.39 53.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -108.42 145.3 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.217 170.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.39 122.26 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.58 109.81 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.93 142.82 48.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -160.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -74.65 137.26 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.1 p30 -94.65 -171.15 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 170.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.68 -5.9 75.53 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -9.49 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.11 15.98 73.25 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -106.81 151.84 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 0.0 111.194 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.65 143.06 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -143.82 171.87 13.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -128.8 125.96 38.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.4 m95 42.98 -109.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.78 17.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.75 134.04 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -131.87 128.26 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -173.72 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.74 -173.75 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 164.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -60.83 -23.15 64.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -173.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -157.28 160.76 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.83 -42.57 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 168.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.58 -34.85 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.12 -44.04 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.0 pp -73.3 -26.83 61.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -171.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -78.2 -27.97 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.213 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.38 -38.42 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 169.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.42 -47.92 78.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.22 166.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -72.06 -6.45 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -85.44 -46.98 10.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.264 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.8 p -81.02 -20.27 42.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -135.97 144.2 45.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -59.58 151.29 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.228 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.84 -41.03 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -150.26 152.37 34.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -169.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.77 -16.09 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -110.67 -31.23 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -111.31 102.29 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.85 75.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -170.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.511 ' CG2' HG21 ' A' ' 45' ' ' VAL . 9.2 mm -113.48 146.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -121.26 152.01 39.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.243 159.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.68 102.33 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -115.91 152.83 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -179.645 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.808 0.337 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.84 -117.97 12.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -100.62 38.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 111.181 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.8 tt -51.54 139.43 28.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -68.98 147.51 68.07 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.745 1.63 . . . . 0.0 111.164 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.29 -34.72 64.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.235 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.79 -62.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.1 -38.54 72.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.09 -41.41 98.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -173.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -73.86 -38.51 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.59 -46.68 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.219 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 55.3 mtm -60.33 -44.41 95.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 92.9 mt -61.52 -36.73 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.9 p -74.95 -5.6 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.54 -25.6 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.34 -40.23 77.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.191 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 59.97 25.94 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.29 96.25 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.37 131.61 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 -22.41 39.65 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.62 161.84 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 111.192 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -152.55 163.4 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.9 tt -127.97 122.37 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 169.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -99.96 131.0 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 32.4 ptt-85 -145.28 153.27 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -173.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -93.51 143.23 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -83.54 142.23 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -83.06 -28.14 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -78.04 -22.6 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.74 76.22 35.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -54.43 138.86 74.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.695 1.596 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.98 -20.62 50.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.69 156.48 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.3 160.2 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -113.69 153.04 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 164.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -123.21 107.74 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 175.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -100.84 109.23 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.3 p -103.55 125.57 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -167.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 26.3 tptp -81.95 89.78 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -104.01 128.87 51.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.17 -126.01 41.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -109.21 20.21 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.241 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.28 173.12 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.44 133.09 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -108.99 144.39 37.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.627 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.4 t-80 -103.77 119.01 38.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -103.97 150.36 24.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.3 120.06 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.43 108.63 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.27 136.99 52.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -160.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -84.36 133.36 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 28.5 p30 -95.99 -176.58 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.43 -2.29 83.99 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.46 -10.5 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.75 8.21 76.96 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -99.98 170.26 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -117.3 146.45 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.23 166.52 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.584 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -138.31 -56.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.3 m95 -93.86 176.5 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.57 -22.6 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 163.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -80.08 123.93 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.67 129.48 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -173.065 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.88 -176.32 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -62.46 -24.51 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -154.1 159.83 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -49.92 -41.98 47.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 169.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.58 -37.95 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.29 -43.07 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -75.18 -30.13 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -169.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.13 -27.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.94 -41.95 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -55.33 -48.38 74.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -87.67 12.13 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -85.65 -39.46 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 163.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.8 p -85.52 -24.56 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -126.51 138.06 53.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 t -58.21 147.7 29.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.6 -15.85 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -152.97 152.73 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.37 -12.74 53.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.65 -33.91 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.232 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -111.92 97.41 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -72.62 72.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.459 ' CG2' HG21 ' A' ' 45' ' ' VAL . 60.3 mt -115.23 133.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.95 158.18 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.32 104.25 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 173.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -112.67 146.65 38.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.62 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.764 0.316 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.91 -127.8 41.85 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -83.83 60.8 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.248 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.414 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.7 tt -69.97 139.84 88.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 167.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 95.1 Cg_endo -67.23 146.25 75.25 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.719 1.612 . . . . 0.0 111.223 171.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -55.85 -35.17 66.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.31 -64.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.212 171.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -71.08 -38.45 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.218 -168.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.64 -40.38 96.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -72.73 -39.83 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -56.73 -47.62 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.7 mtm -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.95 -36.18 83.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.2 p -77.66 -12.39 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.91 -26.26 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 58.06 36.89 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -119.98 95.4 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 93.8 m-20 -59.09 136.16 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 100.98 -23.11 36.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -173.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 157.39 35.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 111.205 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -147.4 162.92 38.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.226 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -129.23 113.95 15.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 168.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.11 133.21 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.8 ptt-85 -147.1 160.33 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.42 134.32 33.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -67.71 141.58 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.01 -32.27 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -79.76 -21.8 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.8 75.54 49.07 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.24 139.94 72.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.686 1.591 . . . . 0.0 111.165 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.23 -19.18 55.5 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -105.92 158.62 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 111.181 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -110.2 156.67 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -116.34 154.57 29.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 159.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.37 110.48 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.6 m -99.81 110.22 22.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -104.71 121.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -85.16 96.43 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 172.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -128.74 122.0 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 88.3 39.36 6.86 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 58.98 22.89 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -154.64 169.22 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 63.0 t -115.23 128.85 72.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -171.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -102.87 150.03 23.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -110.74 127.04 55.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -111.32 152.21 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -91.74 127.77 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.98 112.03 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.05 159.67 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -163.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -92.81 134.62 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -90.4 -170.01 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -16.3 64.38 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.04 -10.51 54.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.29 81.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -168.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -97.38 147.75 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 111.238 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -83.82 139.97 32.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.238 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -147.14 168.81 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.268 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.2 tt -134.19 -61.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.4 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.5 m95 -88.4 174.05 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.14 -23.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 164.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.88 130.56 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 166.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.0 tptm -133.2 134.58 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -172.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -129.2 -169.0 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -65.89 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -169.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -154.98 161.54 41.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -48.28 67.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.74 -35.26 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.204 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.21 -45.59 66.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.8 -30.14 61.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -170.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.71 -24.74 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -40.14 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 170.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -55.7 -47.81 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 167.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -86.34 14.8 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -89.89 -44.88 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 164.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -76.64 -21.47 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -134.37 142.8 47.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -49.83 156.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.5 m -73.42 -19.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -162.24 156.52 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.58 -17.27 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -113.14 -40.84 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -93.73 95.75 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.63 75.45 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -165.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 8.6 mm -120.01 140.03 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.78 149.86 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 162.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.5 mt -110.04 105.65 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 172.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 27' ' ' GLY . 79.5 mtt180 -124.0 161.76 24.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -173.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.232 177.842 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.822 0.344 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 -129.64 43.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.57 60.87 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.7 tt -69.41 139.37 89.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 168.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -66.8 145.5 75.2 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.7 1.6 . . . . 0.0 111.149 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.81 -35.21 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.37 -65.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -71.14 -38.76 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.36 -39.99 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.232 -174.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -71.67 -39.37 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.5 -37.72 68.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.186 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.409 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.6 mtt -64.78 -54.21 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.48 -34.4 78.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.6 p -75.46 -9.3 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -98.78 -24.46 15.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -68.02 -35.65 78.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 59.78 29.9 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.45 92.64 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.29 135.16 57.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 105.17 -26.5 21.81 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -172.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 158.41 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.155 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -148.49 161.36 41.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -128.55 113.08 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 169.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.91 132.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -145.81 164.44 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -173.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -83.41 139.41 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -82.78 113.31 20.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.05 -32.92 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -78.95 -9.72 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.55 72.45 9.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -55.27 140.6 81.68 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.734 1.623 . . . . 0.0 111.23 -173.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.53 -36.64 4.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -88.67 159.37 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.16 154.8 20.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.15 109.91 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -98.58 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 13.0 p -103.03 124.43 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -172.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.1 tptp -88.71 94.7 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -129.67 130.67 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.79 38.22 17.04 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 60.02 27.28 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -156.79 172.42 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.269 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 80.1 t -118.28 129.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -106.19 149.97 26.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -107.36 126.9 53.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.41 147.65 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.01 121.58 32.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -104.88 106.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.72 140.63 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -161.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -78.11 137.78 38.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -91.07 -170.4 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 172.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.17 -13.95 65.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.98 -11.03 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 16.67 71.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -168.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.72 146.62 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.187 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -167.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -141.67 166.02 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 171.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.9 tt -135.06 -63.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.54 -97.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -169.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.0 t -139.19 -56.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.15 141.1 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.6 tptm -124.23 128.33 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -117.26 -178.45 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.8 -22.45 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -151.13 149.46 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.1 tp -44.43 -40.85 5.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 168.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.51 -40.75 9.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.63 -29.28 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.246 -175.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.86 -25.56 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.51 -42.12 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -53.13 -46.63 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -88.88 18.71 4.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -93.99 -47.83 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 164.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.0 p -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.7 m -132.88 145.91 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 p -56.65 163.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.85 -14.44 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -167.4 158.98 12.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.42 -23.29 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.68 -41.41 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.232 -173.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -91.72 95.41 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -76.73 76.51 3.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -120.07 140.0 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.6 148.59 40.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 163.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.57 105.83 15.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.206 173.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' GLY . 99.6 mtt180 -123.23 161.33 24.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.341 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.73 -126.84 8.46 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 84.2 tttt -83.13 52.17 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.444 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 12.3 tt -58.06 137.29 84.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 163.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 147.39 78.11 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.654 1.569 . . . . 0.0 111.136 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.8 -37.27 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.23 -65.99 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -71.13 -37.68 72.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -169.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.2 -42.9 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.266 -174.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -71.99 -37.74 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.17 -45.84 79.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 11' ' ' ILE . 54.0 mtm -65.01 -38.24 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.7 mt -65.37 -36.14 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.7 p -74.98 -19.83 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.71 -30.45 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 166.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -90.44 84.27 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.58 67.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 -170.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -130.04 95.79 4.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.69 133.05 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 100.43 -24.86 30.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.72 161.61 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -150.36 159.1 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.4 tt -124.25 110.9 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 169.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -90.34 132.05 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 35.6 ptt-85 -146.23 164.94 30.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -170.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -71.29 134.14 46.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -57.21 140.53 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.194 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.68 -20.04 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.3 p -104.64 -22.8 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.76 81.64 14.63 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.183 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.41 138.67 56.36 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.737 1.625 . . . . 0.0 111.217 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.19 -22.92 31.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.72 164.21 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.57 165.36 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 m -123.62 152.93 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 166.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.94 105.93 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -100.45 110.98 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.5 p -104.45 123.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 -166.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.7 tptm -82.15 90.61 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -103.95 127.6 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.13 -126.37 42.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -170.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.76 -1.55 32.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -108.82 165.49 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.9 t -121.59 132.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.92 147.69 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -104.19 128.47 51.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.3 m-30 -111.56 146.42 37.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -87.57 121.41 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -110.17 112.09 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.03 143.23 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 -159.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -78.91 131.0 36.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -93.92 -172.93 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.81 -4.03 81.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -172.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.09 -9.29 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.316 . . . . 0.0 111.193 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 13.22 76.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -106.11 157.6 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -99.77 139.56 35.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -139.99 171.98 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 174.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.7 tt -135.81 -62.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.483 ' CD2' HD22 ' A' ' 66' ' ' LEU . 80.5 m95 -91.41 173.79 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.4 -23.39 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 162.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.75 128.72 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 165.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -133.59 132.82 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 -173.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.65 -170.17 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -63.85 -24.77 67.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -170.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.8 p -156.36 162.17 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.04 -48.62 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.94 -31.18 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.77 -45.0 38.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -75.05 -30.24 60.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.235 -169.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.66 -23.72 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.05 -40.96 64.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.9 -47.99 76.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.261 167.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -85.53 11.9 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -88.89 -41.34 12.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 162.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -69.71 -39.54 76.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.5 m -119.76 136.52 54.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 t -57.45 147.04 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.425 ' HB ' ' CZ2' ' A' ' 67' ' ' TRP . 34.0 m -77.08 -14.01 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -137.5 148.49 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.21 -3.22 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -109.71 -30.69 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.252 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -123.83 133.23 53.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.17 73.03 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 45' ' ' VAL . 28.1 mt -109.02 115.49 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 32.9 m-85 -117.23 118.09 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 mt -71.0 78.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -171.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -87.1 158.26 19.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.215 176.053 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.849 0.357 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.33 -126.08 35.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 84.6 tttt -83.47 54.83 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.293 . . . . 0.0 111.157 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.4 tt -70.01 139.79 88.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 172.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 92.4 Cg_endo -67.46 148.25 78.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.72 1.613 . . . . 0.0 111.181 170.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -56.59 -35.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -64.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.217 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -168.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.16 -39.51 92.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -71.85 -40.4 69.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.239 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.97 -42.05 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.426 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.7 mtt -58.44 -47.32 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.0 mt -74.53 -37.43 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -171.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -66.55 -23.34 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -87.64 -32.49 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.53 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 56.33 40.22 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -115.66 90.68 3.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -53.9 127.32 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.78 -25.54 25.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.77 148.62 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -143.66 157.22 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.0 tt -127.83 114.5 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.2 129.19 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -141.75 166.29 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -88.14 135.52 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -61.1 140.45 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -83.57 -13.01 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.9 p -109.67 -22.31 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.94 75.78 47.62 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.92 140.27 58.79 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.218 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.47 -21.98 40.61 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -104.52 156.46 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -105.24 155.37 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -119.03 151.44 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.245 160.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 3.5 tt -122.41 112.09 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 175.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.2 p -107.9 127.69 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -172.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 15.4 tptp -89.78 88.97 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -105.35 132.17 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.22 -123.75 31.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -168.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -113.9 11.27 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -135.81 129.01 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.94 130.75 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -108.0 146.21 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.02 124.2 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.263 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 12.8 m-30 -106.38 137.85 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 175.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -72.49 126.38 29.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.84 110.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 171.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 mt -109.94 141.97 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 -163.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -79.87 134.37 36.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 41.1 p30 -94.29 -174.75 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.217 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.81 -1.04 86.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.46 43.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 111.145 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.9 10.53 72.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -167.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -108.27 176.2 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 111.22 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -125.18 144.52 50.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -138.25 169.22 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.43 -67.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CE2' HD22 ' A' ' 66' ' ' LEU . 93.6 m95 -91.83 -91.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -172.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.85 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.261 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.43 138.65 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 167.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 12.1 ttpt -139.81 140.51 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 175.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.29 -166.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.71 -20.12 54.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -174.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.9 t -154.39 149.4 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp -44.0 -38.11 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 165.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -74.33 -3.86 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.219 -172.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -103.85 -38.19 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -72.12 -26.99 62.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.82 -25.53 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 172.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.77 -42.09 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 171.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -53.54 -47.05 70.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -90.16 20.35 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -93.95 -48.39 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 164.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.5 p -76.07 -21.38 56.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.233 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -129.96 142.92 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 p -60.31 162.9 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.44 -14.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -157.57 154.54 28.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -174.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.51 -23.25 58.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -112.41 -40.98 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.269 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -96.16 69.81 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.01 65.9 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -159.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' CG2' HG21 ' A' ' 45' ' ' VAL . 63.2 mt -94.51 140.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -113.93 149.39 35.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.77 90.59 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -103.4 165.2 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -171.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 171.101 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.772 0.32 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -39.37 -56.84 2.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 46.7 tptt -111.03 47.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.212 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 tt -74.88 139.9 73.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 164.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 90.3 Cg_endo -68.89 149.17 72.05 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.75 1.633 . . . . 0.0 111.151 169.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.9 -35.38 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.223 171.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.51 -63.17 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -71.34 -38.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -168.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.99 95.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -70.43 -38.5 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.82 -46.18 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.42 ' CE ' HD11 ' A' ' 11' ' ' ILE . 58.5 mtm -63.83 -38.73 92.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.8 mt -66.63 -31.22 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -83.05 -24.9 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.84 -38.68 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 164.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.7 tp-100 -70.4 145.62 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 164.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.88 -12.82 10.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.82 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -51.57 139.53 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.1 -35.7 4.88 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 153.57 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -146.67 161.63 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -172.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.59 115.73 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.9 mt -92.23 132.38 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 25.1 ptt-85 -147.44 163.83 35.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.3 137.42 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.243 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -58.5 141.34 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.64 -1.47 57.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -116.93 -24.87 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.4 79.46 25.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.242 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.21 140.5 51.38 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.625 1.55 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.99 -34.7 5.41 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -96.96 156.39 16.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.181 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -110.92 159.94 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -118.6 152.73 35.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 165.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -121.72 111.19 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -98.9 110.4 23.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.8 p -104.88 123.82 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -171.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 4.4 tptm -86.13 93.55 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.272 175.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -129.99 129.65 44.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 36.33 20.2 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 61.02 20.72 11.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -148.87 173.99 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.5 t -118.8 124.53 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.264 -174.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -96.37 147.96 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.522 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -109.98 118.49 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -105.51 150.75 25.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -90.6 123.41 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.92 106.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.98 146.5 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 -164.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -77.93 140.75 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 173.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.8 p30 -92.91 -170.67 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 169.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.74 68.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -11.28 46.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 111.197 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.24 16.72 71.01 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -168.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -104.14 146.65 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -91.96 140.7 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -168.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -144.01 167.23 22.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -134.18 -63.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -91.05 -97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.29 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.87 -56.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.8 140.61 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 170.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.7 tptm -124.14 128.09 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -116.55 -172.26 2.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.34 -26.18 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.6 p -158.22 162.8 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -47.6 -41.6 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.228 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.22 -23.06 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -87.13 -42.96 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -74.08 -29.43 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -172.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.36 -25.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -74.33 -40.25 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.0 -47.33 74.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 167.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -86.72 15.32 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -90.83 -48.65 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 164.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.9 p -75.82 -20.39 58.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.0 m -132.62 145.66 51.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 p -57.15 163.65 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.34 -13.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -167.02 159.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.255 -171.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.93 -20.58 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 171.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -113.32 -40.12 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -92.84 94.81 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -77.71 75.68 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 -165.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.542 ' CG2' HG21 ' A' ' 45' ' ' VAL . 6.7 mm -116.92 142.09 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 170.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -119.34 148.73 42.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 163.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -107.82 95.68 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.246 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -114.23 170.51 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -171.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 -178.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.796 0.331 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.89 -122.18 29.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -91.83 54.29 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 111.231 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 19' ' ' MET . 10.3 tt -65.62 139.78 97.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.217 173.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -67.95 147.44 74.21 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.739 1.626 . . . . 0.0 111.197 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -56.6 -34.64 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.63 -63.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -71.01 -39.36 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.267 -170.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -63.65 -31.84 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.245 -173.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -76.19 -47.17 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.91 -40.84 70.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 11' ' ' ILE . 47.4 mtm -64.85 -27.53 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 -174.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.0 mt -86.61 -34.05 19.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -73.28 -16.85 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -91.92 -28.43 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -65.55 -36.84 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 60.3 36.29 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -123.47 90.83 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 1.7 m-20 -61.38 132.23 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.53 -31.07 8.14 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 150.04 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -146.13 165.98 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.254 -173.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -133.75 128.3 34.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -104.94 129.99 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.1 ptt-85 -144.24 156.47 44.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -173.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -90.82 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -76.21 142.07 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.08 -17.74 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -91.22 -22.43 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.3 76.71 37.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.41 138.36 65.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.713 1.609 . . . . 0.0 111.256 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.38 -20.41 50.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -107.97 156.01 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -121.0 156.59 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -113.65 152.13 30.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 164.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -121.07 111.58 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 m -99.78 109.69 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.259 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.6 p -109.56 124.11 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -173.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.7 tmtt? -91.83 90.68 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -127.15 126.28 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.71 34.26 7.02 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 t30 59.12 27.05 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.149 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -159.02 169.93 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.165 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 96.5 t -113.58 124.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -94.55 148.02 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.618 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.1 t-80 -108.02 121.06 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.6 m-30 -105.55 148.5 27.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.209 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -88.65 126.92 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -108.54 117.94 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.4 144.49 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -159.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -83.15 138.77 33.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 45.8 p30 -91.7 -168.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.12 -16.73 64.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.95 -10.29 53.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.188 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.62 71.87 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -166.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -103.51 150.24 24.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -93.76 138.17 32.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -163.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.65 170.96 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.5 tt -136.54 -62.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -89.06 -103.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -166.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.56 -11.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.61 134.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.475 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -105.7 133.96 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -122.37 -173.98 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.8 -24.62 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -156.3 161.83 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.2 tp -53.05 -47.05 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.97 -33.11 70.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.254 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -73.57 -44.88 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -74.54 -28.4 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.35 -25.25 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.47 -39.75 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 170.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.04 -47.33 78.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.241 167.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 77' ' ' LEU . 66.8 m80 -82.1 9.6 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -90.18 -48.15 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.3 p -77.08 -21.52 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.95 141.6 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.166 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.3 p -60.01 157.93 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.96 -13.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -167.92 175.07 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -171.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -99.26 -13.43 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 170.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.51 -37.72 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.62 84.41 5.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -75.65 77.15 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -165.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.534 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -115.29 142.73 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 171.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -120.59 148.37 43.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 161.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.87 96.25 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -112.63 157.28 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 178.065 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.442 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 20.2 m-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.776 0.322 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.06 -131.04 41.25 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -80.21 54.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 111.223 176.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 13.2 tt -67.1 138.47 94.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -69.17 152.28 72.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.684 1.589 . . . . 0.0 111.191 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.89 -36.79 68.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 171.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.8 -63.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -70.5 -38.71 74.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -170.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.3 -38.94 91.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.243 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.64 -40.66 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.93 -46.99 78.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.401 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.0 mtm -63.31 -39.6 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.86 -35.39 80.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.0 p -76.8 -11.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.26 -27.09 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -73.27 -43.07 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 53.78 29.95 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.21 96.11 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 28.3 t0 -58.56 122.34 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 -177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.99 -27.82 12.23 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 159.65 21.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 111.245 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -148.09 157.55 43.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.7 tt -124.28 113.49 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 169.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -90.68 130.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.2 ptt85 -144.87 166.84 24.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -88.96 136.22 33.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -66.31 142.22 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -82.3 -32.48 29.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.4 p -85.23 -22.78 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.25 76.23 44.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.28 140.68 61.75 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.726 1.618 . . . . 0.0 111.157 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.12 -25.07 29.69 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.41 155.7 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -110.93 154.54 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -114.92 156.35 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 167.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 4.6 tt -125.56 108.32 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -100.36 108.65 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -104.99 125.92 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -169.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 49' ' ' ASN . 11.0 tppt? -85.98 92.98 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.184 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -102.9 128.42 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 61.2 -118.61 15.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -163.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.7 m-80 -114.61 2.98 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -110.69 158.75 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 60.7 t -110.42 132.67 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -109.23 147.2 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -105.39 120.86 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 66' ' ' LEU . 10.2 m-30 -103.22 165.09 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 172.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -116.78 116.33 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.93 98.14 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -102.84 144.65 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -160.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -88.8 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.21 171.92 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.28 -16.65 54.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.84 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.221 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.73 -3.79 86.01 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -77.49 144.25 37.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.09 140.62 37.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -146.9 166.8 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.197 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.511 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -128.18 -62.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -96.59 -91.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -135.43 -61.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.14 137.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -126.62 127.42 45.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -107.5 -176.09 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.04 -24.33 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 t -152.06 150.94 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.2 tp -47.15 -35.75 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 168.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.64 -9.38 58.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -173.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -98.22 -39.84 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.1 pp -72.22 -27.48 62.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -177.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -72.82 -26.04 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -74.57 -41.51 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 168.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.01 16.39 8.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -91.16 -45.5 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 163.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.1 m -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.9 m -119.83 136.13 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.34 149.16 13.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.7 -18.31 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.0 t -147.5 149.59 32.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.19 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.73 -19.51 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -106.22 -32.85 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.08 97.29 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.07 74.98 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -169.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.491 ' CG2' HG21 ' A' ' 45' ' ' VAL . 54.6 mt -114.27 122.88 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -116.58 116.3 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.71 80.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -170.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -83.79 152.69 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 173.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.96 27.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.65 56.13 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 111.167 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.0 tt -68.64 139.72 91.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 173.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.9 Cg_endo -68.21 147.11 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.626 1.551 . . . . 0.0 111.227 170.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.08 -34.87 66.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 171.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.16 0.7 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -70.8 -38.83 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.214 -169.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.253 -174.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -73.4 -39.01 65.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.4 -46.03 87.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 58.1 mtm -61.78 -41.36 97.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.438 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 80.0 mt -62.78 -42.84 99.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -66.17 -20.99 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -82.05 -31.77 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 168.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.571 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 5.3 tp-100 -79.53 108.26 12.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 176.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.04 1.98 41.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -170.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -84.68 100.1 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.49 145.87 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.45 -22.71 39.38 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 149.61 47.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.172 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -145.92 164.24 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -173.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.0 tt -131.52 118.84 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.1 128.77 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 30.9 ptt-85 -142.24 156.22 45.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.269 -172.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -89.16 136.97 32.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -76.41 142.82 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.05 -30.77 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.4 p -78.16 -22.82 48.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.46 77.35 40.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -54.31 138.42 72.73 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.693 1.595 . . . . 0.0 111.2 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -19.83 52.56 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -105.93 158.13 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.154 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -123.01 157.33 32.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.3 m -111.75 155.25 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 163.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.0 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 m -97.06 113.29 24.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG21 ' CG2' ' A' ' 92' ' ' ILE . 14.9 p -111.72 126.93 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 -172.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 54.5 tttt -93.08 99.98 12.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 171.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -129.32 113.36 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 167.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.89 32.07 5.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 59.49 27.8 17.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -158.28 158.7 34.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.2 t -109.05 130.55 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 -167.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -106.17 144.47 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.4 t-80 -104.34 119.16 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -105.14 164.85 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -114.41 118.99 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.21 108.25 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.86 150.66 38.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 -163.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -78.6 138.6 38.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 43.9 p30 -96.05 -172.85 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 170.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.52 -3.77 78.92 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 -10.0 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 111.236 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.28 72.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -168.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -106.19 153.57 21.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.226 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -96.46 140.45 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -142.88 167.51 21.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.8 tt -135.19 -56.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -94.82 177.03 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -64.31 -24.84 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 164.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.16 130.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 164.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.3 tptm -134.4 134.46 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -125.1 -176.61 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 168.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.89 -23.35 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.6 t -152.55 149.53 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.184 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.0 tp -44.8 -40.23 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.244 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.54 -23.5 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.2 -41.66 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -73.86 -30.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -172.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.38 -25.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.5 -41.68 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 173.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -55.82 -48.48 75.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 168.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -84.97 11.96 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -89.54 -44.66 9.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.252 164.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -81.03 -22.15 39.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.9 m -130.76 140.16 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 t -59.03 146.67 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.75 -19.69 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 t -153.96 154.57 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -169.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.31 -24.79 62.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -109.47 -37.67 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.88 90.66 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.87 81.34 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.565 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.2 mm -109.87 129.99 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -121.57 112.36 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.08 78.73 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.259 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -91.42 159.01 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 177.819 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.0 m-85 . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 120.849 0.356 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' PHE . . . -40.26 -57.97 2.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -108.58 32.82 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.191 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 13.5 tt -64.69 137.26 97.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.26 149.41 45.47 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 168.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -59.28 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.13 -37.09 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -100.48 -43.37 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.24 -35.55 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.42 -48.24 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.229 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 mtm -59.97 -45.12 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 98.6 mt -64.16 -37.91 89.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -74.75 -11.15 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.45 -30.19 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.27 -39.7 86.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 60.01 22.71 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -98.51 86.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.87 129.33 37.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.94 -29.64 10.49 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.54 159.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 111.214 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -147.89 158.19 43.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -126.6 113.84 17.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 170.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -92.78 128.54 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.4 ptt85 -144.08 150.0 37.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -171.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.68 138.56 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -70.87 143.77 50.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.49 -19.99 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.5 p -95.67 -23.73 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.84 79.87 26.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.53 137.4 57.8 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.711 1.607 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.46 46.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.75 157.99 16.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.195 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -113.17 155.16 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -107.05 152.58 23.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 160.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -118.45 107.93 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.206 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -99.54 105.18 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.628 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.2 p -100.17 124.69 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 -165.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptp -77.32 87.27 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -117.19 128.15 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.66 -133.85 47.26 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -170.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.94 21.99 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.33 174.59 10.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.256 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 46.0 t -125.12 118.31 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -94.57 152.14 18.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.615 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.7 t-80 -109.53 116.54 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.5 m-30 -103.01 147.85 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 170.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -94.67 120.06 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.33 105.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.22 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.22 146.31 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 -160.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -78.5 139.13 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 172.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -92.75 -170.2 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 171.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.06 -11.63 67.25 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -10.37 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.57 16.9 72.23 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.25 147.27 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 111.208 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -91.34 139.27 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -167.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -143.64 171.22 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.492 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.36 -58.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE2' HD22 ' A' ' 66' ' ' LEU . 80.9 m95 -97.38 170.69 8.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.08 -44.09 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 163.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.74 127.17 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 163.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -143.25 145.19 32.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.24 -168.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 172.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -63.85 -24.56 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.3 p -153.43 160.35 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.54 -44.18 65.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.194 170.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.73 -35.98 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.9 -43.89 56.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -73.37 -29.92 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 -170.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.61 -26.54 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.44 -41.42 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 170.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -56.53 -49.21 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 168.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.47 11.73 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -89.65 -41.48 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 163.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -66.92 -38.41 86.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -128.57 138.95 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -57.2 148.33 22.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.9 m -69.46 -21.91 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -168.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.05 -5.0 58.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -114.65 -30.69 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -110.36 144.48 39.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -98.89 79.14 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.6 mt -119.05 110.69 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 -173.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -113.17 109.98 19.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.216 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.35 79.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -169.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.56 146.34 34.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.877 0.37 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.2 -128.74 48.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -82.03 62.71 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 tt -77.1 136.98 65.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 174.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.01 147.67 55.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.682 1.588 . . . . 0.0 111.17 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -58.38 -30.14 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -99.52 -42.48 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.02 -40.56 96.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.9 -35.09 57.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.21 -46.6 88.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 172.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -63.57 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.49 -43.21 93.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.2 p -65.2 -18.34 65.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.57 -10.23 38.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -77.97 -26.06 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 53.37 38.88 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -139.95 101.91 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.247 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.46 140.13 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -29.67 11.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.73 146.66 45.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.36 164.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -172.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.8 tt -136.2 124.17 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.14 130.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OG ' ' A' ' 44' ' ' SER . 33.7 ptt-85 -144.79 157.86 44.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -172.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -88.25 135.0 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -65.92 141.46 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.34 -9.35 56.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 172.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -105.22 -23.44 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.35 76.71 55.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.7 138.93 68.07 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.684 1.589 . . . . 0.0 111.182 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.82 -21.82 44.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.9 155.87 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 111.214 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -115.48 153.06 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.9 m -109.06 154.34 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 161.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -121.99 110.74 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.637 ' OG ' ' NH1' ' A' ' 32' ' ' ARG . 62.9 m -94.8 116.48 28.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.9 p -116.95 130.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -99.0 102.05 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -128.27 125.68 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.236 167.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.54 23.07 44.58 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -172.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 62.56 17.47 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.02 134.29 38.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 64.8 t -85.49 123.3 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 -170.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -94.58 161.03 14.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.158 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -118.14 126.04 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -108.09 165.93 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -115.81 117.74 31.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.216 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.04 102.45 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 mt -110.68 148.39 32.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -162.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.53 138.04 36.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 166.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -89.5 -170.45 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -13.76 63.28 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.89 -14.52 41.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.39 9.83 78.53 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -166.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -89.27 138.89 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -88.51 136.3 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -146.23 168.88 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 173.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.96 -60.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -93.8 -96.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -171.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.0 -15.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -177.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.74 135.99 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.208 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -112.57 134.64 53.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -115.94 -171.56 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.68 -26.92 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -156.98 154.49 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.258 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -46.51 -36.7 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 166.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.94 -7.2 51.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -98.77 -40.02 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -72.37 -28.13 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.256 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.97 -25.97 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.38 -42.82 53.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -53.5 -46.21 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -91.34 22.46 3.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.23 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -96.38 -50.77 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 164.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -73.63 -20.74 60.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.0 m -130.78 144.45 51.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -57.6 162.41 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.176 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.31 -16.19 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.247 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -164.7 156.78 15.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.09 -20.88 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 172.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -112.84 -40.93 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.11 93.69 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.214 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -77.73 75.96 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -164.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.9 mm -114.8 142.89 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 172.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.08 151.11 40.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 161.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -108.13 94.04 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -107.88 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.849 0.356 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.4 -128.94 45.57 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -84.3 59.07 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.176 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -68.23 139.68 92.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 168.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -67.51 146.88 75.72 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.146 171.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -55.87 -35.26 66.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.32 -64.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 171.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.92 -38.85 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -168.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.24 -43.92 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -175.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -69.97 -38.13 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.99 -45.77 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 62.9 mtm -65.65 -37.28 86.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.7 mt -66.57 -29.12 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.04 -20.49 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.02 -39.31 79.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.221 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.4 tp-100 -69.21 145.59 53.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 162.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.73 -17.11 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -58.91 124.91 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -83.43 139.98 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 173.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.91 -20.66 38.08 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -62.46 156.43 22.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -149.7 158.23 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -124.6 112.62 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 170.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -90.95 131.03 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.9 ptt-85 -144.17 159.58 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -172.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.73 136.3 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -70.82 137.39 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.232 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -82.05 -32.22 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -71.64 -34.78 70.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.34 79.7 73.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.56 140.12 65.51 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.745 1.63 . . . . 0.0 111.241 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.02 -35.11 5.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -91.2 160.83 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.236 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -114.13 154.72 27.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.232 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -109.43 155.03 21.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 157.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -122.56 108.47 13.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.234 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 m -99.8 109.07 21.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.222 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.586 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -103.89 124.46 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -169.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ALA . 3.0 tptm -88.53 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -129.75 121.33 26.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.43 35.56 6.53 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.13 27.67 15.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.143 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -156.91 171.45 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 39.8 t -118.09 132.33 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -109.32 143.84 38.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.205 170.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.537 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -102.94 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.18 -176.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.417 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.4 m-30 -107.83 164.64 12.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 175.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -113.8 117.86 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.7 t -108.46 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -114.91 144.99 42.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -163.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -77.37 145.16 37.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.548 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 50.1 p30 -93.85 -170.06 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 165.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.21 -9.53 72.43 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.93 46.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.79 69.38 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.91 147.39 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -97.57 141.16 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -163.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -144.19 171.65 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.229 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.522 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.76 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD2' HD22 ' A' ' 66' ' ' LEU . 98.9 m95 -89.96 -97.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -166.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.3 -58.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.45 137.64 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 161.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -128.23 144.36 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -120.08 -174.68 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -62.23 -23.72 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 -167.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -153.99 161.84 41.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.217 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.7 tp -52.85 -47.78 67.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.222 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.52 -28.2 68.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -78.72 -43.27 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.9 pp -74.79 -29.78 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -171.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.12 -23.74 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.34 -40.85 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 172.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 167.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -84.3 12.05 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.191 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -90.39 -47.71 7.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 164.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 m -67.68 -38.95 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -119.93 137.19 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -55.95 148.42 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.225 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 m -69.93 -19.75 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 t -154.74 155.33 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.28 -12.88 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.33 -32.93 5.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -107.83 93.56 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -75.53 80.27 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -170.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.586 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.3 mm -109.83 129.96 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.21 110.57 15.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.83 77.17 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -89.2 150.58 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 176.211 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.84 0.352 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.37 -122.76 25.47 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -78.9 67.36 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 111.175 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tt -77.44 136.18 64.63 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -71.32 146.88 51.86 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.592 . . . . 0.0 111.215 169.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -57.39 -34.0 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -35.62 -53.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 170.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -85.39 -41.15 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.02 -45.37 95.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.08 -39.17 89.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.57 -47.99 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 mtm -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 93.8 mt -73.54 -33.96 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 -18.79 58.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.79 -37.2 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 166.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.99 138.16 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 165.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -116.69 39.73 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 36.4 p-80 -136.13 115.89 13.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.227 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.49 136.22 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.46 -25.08 8.81 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.22 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -148.48 159.01 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.0 tt -133.8 128.2 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -103.62 127.43 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -143.05 163.59 32.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -77.07 137.51 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.3 t -85.33 118.29 24.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.28 -32.6 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.2 p -78.43 -10.0 59.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.4 71.97 6.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -53.98 139.6 70.08 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.675 1.583 . . . . 0.0 111.245 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.25 -31.13 8.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.51 156.21 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -110.98 156.76 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -172.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -113.68 154.37 27.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 163.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -122.89 112.53 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -101.67 109.55 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.5 p -110.33 122.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -169.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -88.65 84.13 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -111.13 136.63 49.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.47 34.86 56.75 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.7 t30 57.62 31.59 20.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.19 160.53 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 100.0 t -109.35 121.63 62.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -169.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -105.7 149.83 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.248 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -106.36 122.93 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.7 m-30 -106.74 154.83 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.28 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -93.88 133.2 37.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.45 103.04 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 173.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -109.85 145.07 37.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -165.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -76.2 142.03 41.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.253 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 49.6 p30 -91.42 -169.02 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 170.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.56 -15.54 64.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.42 -10.99 53.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.227 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.47 71.96 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.52 145.4 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.22 141.53 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -165.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -144.95 159.28 43.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 167.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 67' ' ' TRP . 3.6 tt -102.38 -70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.426 ' CD1' HD22 ' A' ' 66' ' ' LEU . 19.3 m95 -102.14 -87.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.32 -35.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 137.83 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -132.53 127.43 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 -176.066 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -119.08 179.72 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 168.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.0 -22.13 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.3 p -150.76 157.87 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.4 tp -52.05 -42.07 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -57.59 -36.92 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.67 -37.93 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -83.05 -21.13 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -170.265 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.41 -20.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.17 -39.55 68.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 166.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.1 -49.22 77.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 167.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -77.6 4.27 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -88.12 -50.46 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -71.55 -34.92 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.5 m -119.83 141.01 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.1 p -59.57 152.77 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.03 -12.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.227 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -153.2 152.1 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.5 -22.89 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -110.03 -32.18 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -109.45 94.0 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.15 68.72 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 -168.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG2' HG21 ' A' ' 45' ' ' VAL . 59.7 mt -102.84 137.97 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.74 151.58 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 mt -103.02 89.9 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -110.99 143.72 41.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.25 -168.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -179.536 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.794 0.331 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.37 -125.77 38.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.64 55.81 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 111.231 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 8.9 tt -69.99 139.31 87.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -68.09 146.87 72.03 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.785 1.656 . . . . 0.0 111.132 170.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -55.98 -34.56 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.23 -63.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 171.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.56 -39.11 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -169.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -38.63 90.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -73.28 -40.9 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.76 -46.09 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.4 mtm -60.55 -41.9 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.242 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 46' ' ' LYS . 89.4 mt -65.85 -34.98 79.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.8 p -78.75 -12.91 60.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.93 -33.02 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 165.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.25 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 50.01 49.96 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -128.33 99.09 5.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 94.7 m-20 -60.01 132.61 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -34.37 5.84 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 151.35 47.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.181 -175.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.73 165.02 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -130.33 120.53 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 170.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.8 mt -97.88 131.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.0 ptt-85 -145.05 164.09 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -93.73 135.14 35.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 174.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 t -70.38 142.25 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -88.62 -8.05 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -100.29 -28.8 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.22 76.88 68.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.24 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.25 139.44 63.47 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.684 1.589 . . . . 0.0 111.219 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.28 -26.32 24.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -98.89 151.96 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -109.52 159.58 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -118.81 153.07 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 164.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -122.5 110.01 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 m -99.71 110.07 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -103.11 123.43 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -171.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.8 tptt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.273 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -129.82 130.15 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 172.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' ASP . . . 78.57 27.1 57.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 61.49 7.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' GLY . 21.9 t0 -112.08 170.04 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 167.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.8 t -119.0 128.63 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -110.01 144.65 38.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.254 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.594 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.8 t-80 -102.92 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -173.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -105.37 149.33 26.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -93.91 119.97 33.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.43 106.46 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.38 144.39 39.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -158.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -65.77 139.46 58.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.79 173.56 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 -16.88 61.9 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.28 59.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.96 88.77 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -82.93 168.86 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.21 143.66 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -144.74 169.8 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.84 -63.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -88.4 172.97 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.235 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.25 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 162.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.4 t -79.52 123.74 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 163.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -139.27 141.0 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.1 -167.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -58.0 -25.63 61.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -170.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.6 p -156.47 163.49 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 tp -51.69 -44.04 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 170.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.91 -36.2 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -70.44 -44.36 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -75.5 -30.15 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.08 -26.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 175.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.92 -41.66 64.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.01 -49.15 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 168.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -84.11 10.72 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -87.79 -45.64 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.3 p -81.8 -21.2 37.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.8 m -132.39 142.35 49.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.9 p -62.49 156.62 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.42 -13.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -160.99 155.55 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.37 -25.7 62.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -113.87 -40.42 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.19 70.2 2.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -82.08 66.81 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -156.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.9 mm -79.35 141.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.249 171.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -116.27 148.81 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -110.91 105.46 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.51 152.13 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.533 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.44 -128.02 45.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.16 60.69 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 111.217 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -69.89 139.52 88.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 167.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.6 Cg_endo -67.13 146.05 75.18 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.622 1.548 . . . . 0.0 111.253 170.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.85 -34.39 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.59 -65.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -70.19 -38.85 75.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.225 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.51 -40.77 95.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -72.33 -40.23 67.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.88 -46.9 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.6 mtm -61.21 -44.12 97.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.5 mt -62.31 -36.47 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.3 p -75.63 -3.34 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.02 -24.25 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 170.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -70.6 -40.52 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 60.07 26.87 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -104.15 94.8 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.52 128.75 35.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.12 -23.81 29.64 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.45 162.3 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.165 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -155.46 156.94 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -123.71 118.71 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 174.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.4 mt -99.1 130.05 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -143.55 164.63 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -91.7 135.03 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -68.46 141.62 55.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -85.86 -31.69 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -80.58 -22.25 40.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.79 75.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.94 139.81 69.59 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.697 1.598 . . . . 0.0 111.243 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.99 -22.02 43.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -102.26 153.8 19.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 111.238 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -172.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 m -124.5 153.2 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 166.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.97 111.25 16.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -99.73 111.57 23.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -102.31 125.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 -167.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.3 tptp -77.55 85.31 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CD2' HG12 ' A' ' 92' ' ' ILE . 8.3 t80 -112.62 120.39 41.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.47 -136.59 39.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -169.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.54 21.38 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.04 176.0 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.248 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 t -124.59 125.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.98 167.75 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 174.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.682 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -129.51 115.15 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -172.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -96.77 141.5 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -81.64 120.66 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.0 92.3 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -107.21 150.07 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -158.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -76.88 136.57 38.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 168.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -90.77 -168.58 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.34 -16.78 63.16 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.09 -12.19 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.273 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.84 13.93 76.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -165.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.38 143.68 27.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.26 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -86.58 136.98 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -140.87 160.06 40.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 171.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 7.2 tt -122.08 120.0 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 27.4 m95 55.23 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.36 -10.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.03 139.51 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.243 -168.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -149.53 139.87 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.87 -164.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -55.45 -28.06 52.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.13 153.58 29.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' ' 74' ' ' LEU . 6.9 tt -57.53 -28.25 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.199 173.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -59.44 -19.65 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.23 -31.61 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.275 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -79.79 -25.04 41.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.36 -27.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.62 -41.06 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -56.01 -48.41 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 167.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -82.29 8.86 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -94.22 -50.02 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -69.57 -37.55 77.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -117.99 139.32 51.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.1 p -59.97 153.22 21.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.56 -28.37 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -157.26 158.12 35.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.12 -26.6 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -99.7 0.08 41.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -139.12 101.36 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.44 67.89 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 -173.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.4 mt -117.67 125.35 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -174.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -122.83 109.95 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.65 81.26 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -170.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -77.99 148.11 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.172 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.771 0.32 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.48 -118.91 12.67 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -81.95 65.78 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 7.9 tt -70.05 139.92 88.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 172.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.0 Cg_endo -67.67 148.4 77.75 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.701 1.601 . . . . 0.0 111.173 169.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -56.01 -35.45 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -71.49 -38.33 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -168.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.97 95.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.7 -40.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.44 -47.14 82.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mtm -60.46 -45.52 93.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 90.8 mt -62.82 -36.95 84.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.4 p -71.82 -7.44 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -99.54 -24.95 14.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.07 -41.32 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 60.1 26.51 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -102.95 95.15 5.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.38 128.3 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.82 -29.66 11.39 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.54 152.22 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -146.48 155.95 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -171.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.46 113.62 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -94.01 128.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CB ' HG22 ' A' ' 11' ' ' ILE . 40.7 ptt85 -141.42 156.58 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -88.14 136.32 33.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.238 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -71.24 141.76 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.188 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -82.56 -33.37 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -79.59 -22.41 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.63 75.5 43.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.08 139.78 70.92 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.788 1.659 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.54 -20.55 50.26 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -106.06 155.48 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -120.01 154.53 34.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 m -113.85 156.9 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 164.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.49 111.08 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -101.44 109.51 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -107.01 125.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.264 -167.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 24.5 tptp -82.64 86.62 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -102.24 126.71 49.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.99 -131.78 45.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -171.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.56 2.99 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -113.77 171.1 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.19 123.77 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 172.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -96.77 148.5 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.482 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 3.4 t-80 -110.04 118.26 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -103.44 154.08 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -100.58 126.15 47.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.71 95.06 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.9 mt -110.02 151.04 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -159.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -78.48 137.19 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -90.93 -168.96 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.219 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.28 -15.77 63.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -175.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.32 -12.56 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.686 0.279 . . . . 0.0 111.139 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.23 12.87 78.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -165.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -94.95 141.29 28.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -89.01 135.59 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -170.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -141.21 161.92 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.232 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 6.7 tt -120.82 121.14 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 24.4 m95 56.19 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -169.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.7 -6.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.23 135.59 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -167.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -133.53 129.93 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.74 -173.51 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 170.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -55.74 -26.28 44.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.0 t -155.22 151.0 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.66 -33.36 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 167.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.37 -7.85 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -101.74 -43.87 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.3 pp -67.44 -21.02 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.45 -26.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.02 -38.47 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -55.86 -48.55 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 167.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -78.13 1.67 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 -88.16 -47.15 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.4 p -83.03 -20.96 34.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.4 m -130.77 140.84 50.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.0 p -61.38 150.12 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.72 -23.74 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.266 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 t -149.42 153.73 37.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -172.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.84 -25.26 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -106.96 -34.26 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -174.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -107.83 92.58 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -77.64 66.52 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -166.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.407 ' CG2' HG21 ' A' ' 45' ' ' VAL . 53.4 mt -99.87 137.4 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.77 154.11 29.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.209 174.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -106.44 105.59 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.216 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 96' ' ' ASP . 75.2 mtt85 -112.63 160.03 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -173.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 27.0 t0 . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.792 0.329 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.46 -131.97 51.25 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.8 62.36 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.258 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -75.73 137.08 70.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.64 147.77 57.95 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.686 1.591 . . . . 0.0 111.196 169.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -61.24 -20.79 63.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.02 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 11' ' ' ILE . 23.7 mmmt -90.09 -55.21 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -60.87 -26.96 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -163.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -88.59 -33.88 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -60.62 -37.04 80.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.3 mtt -63.05 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 mt -85.24 -33.98 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -168.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -70.41 -15.92 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.76 -30.91 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.86 -38.47 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.207 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 59.93 30.59 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 25' ' ' HIS . 3.3 t-160 -100.67 96.78 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.613 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 35.0 p30 -64.12 123.25 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -173.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.04 -19.58 43.19 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 150.41 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.3 tt -130.63 119.36 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.171 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.88 130.18 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -145.41 168.26 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 -170.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -92.11 139.13 30.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.182 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -73.26 140.48 46.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -87.72 -10.49 50.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 100.0 p -97.82 -23.74 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.92 77.54 37.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.196 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.47 138.0 65.64 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.647 1.564 . . . . 0.0 111.202 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.63 -25.58 27.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.71 154.28 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 111.243 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -109.88 159.99 16.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.285 -174.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -120.41 154.89 34.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 164.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tt -121.28 109.97 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -97.81 109.65 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.549 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.0 p -107.03 126.07 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -171.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.6 tptp -89.08 90.83 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.26 175.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -113.85 136.12 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.68 -128.13 37.57 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -105.26 2.25 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -114.05 169.57 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 -173.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 87.8 t -118.21 126.12 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 168.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' A' ' 52' ' ' GLN . 24.3 mt-30 -101.55 149.45 24.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.557 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -107.49 119.87 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -106.22 147.56 28.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.256 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -93.26 119.98 33.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -105.53 105.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -111.67 147.66 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -159.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -74.36 136.86 42.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -96.37 -173.0 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.212 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.28 -2.61 79.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.28 -12.84 31.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.97 10.59 71.74 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -99.32 162.08 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -142.48 168.2 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -136.83 -60.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CD2' HD22 ' A' ' 66' ' ' LEU . 71.3 m95 -92.18 174.65 7.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.53 -23.78 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 165.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.98 130.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 165.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -134.53 132.53 39.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -123.75 -171.55 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.32 -21.14 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.4 p -153.23 159.76 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.4 tp -51.13 -42.54 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.66 -39.96 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.26 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -75.88 -30.11 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -167.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.71 -26.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.63 -42.7 64.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -53.65 -46.45 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 169.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -90.21 20.88 4.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -92.22 -48.26 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 163.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -79.2 -18.59 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.55 146.58 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.2 p -55.82 158.58 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.08 -26.01 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -163.9 -174.22 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -103.81 -9.47 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.73 4.32 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -171.79 108.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -84.62 62.24 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -169.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.549 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.1 mm -84.66 142.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.76 141.72 50.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.8 mt -107.65 96.18 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.01 150.68 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -171.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.312 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.793 0.33 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.82 -128.47 43.15 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.19 59.61 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.705 0.288 . . . . 0.0 111.203 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -70.08 139.74 87.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 168.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 91.3 Cg_endo -67.62 146.56 73.9 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.623 1.549 . . . . 0.0 111.27 170.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.06 -35.24 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 172.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -63.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.166 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -71.44 -38.81 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -168.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.83 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -174.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -72.52 -39.46 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.69 -45.72 85.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.262 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 99.3 p -72.3 -24.27 61.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.41 -37.49 43.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.701 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.6 tp-100 -66.43 146.6 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 167.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -118.58 48.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -130.31 99.61 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -171.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.73 137.54 54.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 174.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 95.89 -22.17 40.87 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.15 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -144.37 162.75 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -172.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.22 112.41 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 171.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.63 132.74 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 33.9 ptt-85 -145.34 159.73 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -173.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.68 134.21 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 142.21 56.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -84.27 -33.45 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -79.51 -22.22 44.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.245 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.53 76.83 47.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -53.86 139.68 68.85 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.596 1.531 . . . . 0.0 111.229 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.82 -22.29 41.33 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.18 159.7 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.59 156.33 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -170.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -112.82 155.26 24.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 162.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.66 107.41 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -99.56 111.78 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -109.99 127.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -171.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.701 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 43.6 tttt -85.69 99.31 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 171.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -103.93 127.09 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.222 165.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.74 -122.28 27.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.3 5.74 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.184 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -112.65 156.95 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 48.2 t -112.35 131.97 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.0 142.54 41.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . 0.56 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.2 t-80 -103.41 119.42 38.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -104.37 155.83 18.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -100.78 124.81 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -109.58 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.41 150.93 38.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -164.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -86.8 141.54 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -93.41 -171.61 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.69 -5.88 75.49 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.87 -11.75 38.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.215 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 15.43 70.8 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -167.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -102.78 149.17 24.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -97.0 139.63 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.99 169.24 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -135.42 -64.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -92.93 -96.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -138.9 -55.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.71 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.174 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -126.08 129.35 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.62 -174.03 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 173.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -72.03 -16.75 62.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 150.78 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.2 tp -43.62 -40.28 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 167.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.25 -20.94 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -90.21 -41.63 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.447 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -73.95 -29.36 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.6 -25.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -74.18 -40.69 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -55.66 -47.52 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -85.5 12.4 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -89.79 -46.65 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 163.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -66.58 -39.5 88.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -120.07 136.89 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.1 149.54 12.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.13 -18.57 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 t -150.46 152.87 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -171.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.09 -11.32 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 175.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -113.71 -31.78 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -109.6 94.06 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.242 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -75.12 75.5 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 -169.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 45' ' ' VAL . 46.8 mt -114.31 126.58 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.413 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 13.3 m-85 -117.35 118.22 31.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -76.14 80.46 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.243 -172.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -90.03 156.66 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 176.551 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.795 0.331 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.24 -127.56 43.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.52 59.85 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -70.0 139.83 88.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 168.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.0 Cg_endo -67.28 146.09 74.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.85 -35.28 66.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 172.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -71.02 -38.62 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -168.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.79 -40.58 95.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.71 -39.96 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.58 -46.99 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 57.9 mtm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.4 mt -64.72 -39.78 94.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -72.57 -12.27 61.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.26 -25.77 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 168.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.99 -41.74 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 59.92 32.44 21.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.92 94.69 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.9 129.73 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.26 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.67 -28.38 15.16 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.2 157.05 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.22 159.07 44.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -127.09 111.95 14.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.176 171.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.48 129.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 ptt-85 -142.3 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -89.99 135.24 33.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.7 t -68.33 140.85 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -84.62 -30.62 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -82.51 -22.21 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.33 74.88 47.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.77 140.31 67.37 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.741 1.627 . . . . 0.0 111.225 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.25 36.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.08 155.08 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.263 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -109.93 156.42 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 161.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.96 110.42 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 m -101.43 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.6 p -102.79 124.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -169.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.2 tptp -77.95 86.13 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.246 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG12 ' A' ' 92' ' ' ILE . 7.4 t80 -113.18 121.16 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.98 -132.49 43.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -167.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -101.7 10.85 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.214 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -131.5 151.34 51.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.0 t -107.15 119.01 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -92.49 151.81 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -110.54 125.8 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HB3' HD21 ' A' ' 66' ' ' LEU . 13.7 m-30 -110.86 144.44 39.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -84.14 116.76 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.12 107.28 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.232 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -109.85 137.66 47.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -163.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.29 135.89 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 40.7 p30 -95.47 -175.12 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.94 86.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.28 -11.63 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.1 9.78 72.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -166.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -102.5 168.54 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 111.195 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.4 147.44 46.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.19 168.29 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.512 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.6 tt -135.54 -66.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.208 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CD2' HD22 ' A' ' 66' ' ' LEU . 96.8 m95 -91.3 -96.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -167.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.27 -59.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.19 138.27 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 162.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 86.9 tttt -131.88 142.41 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.03 -171.68 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -64.91 -23.32 67.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.228 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.3 p -152.33 161.46 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.8 tp -50.36 -42.77 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.12 -36.81 75.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.24 -42.04 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.7 pp -75.58 -29.21 59.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -171.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.0 m -77.1 -26.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.244 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.46 -40.22 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -57.19 -49.33 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -85.24 16.63 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -93.0 -48.87 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 162.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -73.84 -20.65 60.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.3 m -131.73 144.56 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -58.46 159.13 6.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.87 -27.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -159.43 157.82 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.185 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.65 -26.62 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -97.3 -0.42 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -141.29 98.11 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -79.03 68.27 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.227 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.567 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.8 mt -115.39 122.43 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -119.73 110.34 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.231 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.58 79.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -82.14 159.85 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.833 0.349 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.64 -129.23 44.11 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -82.41 60.11 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.1 tt -70.04 139.74 88.0 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 168.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 96.6 Cg_endo -67.29 146.06 74.24 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.209 170.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.82 -34.8 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 172.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.07 -64.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 171.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -70.8 -38.49 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.234 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -174.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -71.87 -40.26 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.282 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.62 -39.35 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.77 -35.89 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.7 p -78.22 -18.56 55.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.14 -34.49 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 167.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.668 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.5 tp-100 -67.84 147.1 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 165.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -119.02 64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -152.51 87.08 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 -168.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -58.18 132.72 54.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 -32.06 7.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -170.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.35 150.99 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.78 161.47 41.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -171.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.62 116.29 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.5 mt -95.94 131.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -143.94 165.3 28.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -89.31 136.41 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -71.3 139.35 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -83.53 -32.49 25.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 173.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 m -71.5 -35.03 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.3 78.93 73.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.34 140.52 73.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.699 1.599 . . . . 0.0 111.232 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.93 -23.41 36.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -99.07 155.77 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -109.72 155.73 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.244 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -120.09 152.83 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 163.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -124.43 109.99 13.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 m -98.16 114.6 26.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.6 p -110.23 126.32 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.668 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 48.3 tttt -90.57 101.71 14.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 171.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -129.93 120.03 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 166.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.37 7.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.8 t30 59.43 26.1 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.173 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -156.18 158.56 37.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 171.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 52.8 t -108.22 127.72 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -166.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB3' HE21 ' A' ' 52' ' ' GLN . 18.5 mt-30 -101.46 164.41 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.224 166.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -121.78 130.39 53.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -108.42 145.3 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.217 170.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.39 122.26 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.58 109.81 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.93 142.82 48.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -160.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -74.65 137.26 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.1 p30 -94.65 -171.15 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 170.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.68 -5.9 75.53 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -9.49 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.11 15.98 73.25 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -106.81 151.84 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 0.0 111.194 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.65 143.06 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -143.82 171.87 13.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -128.8 125.96 38.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.4 m95 42.98 -109.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.78 17.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.75 134.04 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -131.87 128.26 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -173.72 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.74 -173.75 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 164.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -60.83 -23.15 64.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -173.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -157.28 160.76 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.83 -42.57 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 168.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.58 -34.85 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.12 -44.04 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.0 pp -73.3 -26.83 61.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -171.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -78.2 -27.97 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.213 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.38 -38.42 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 169.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.42 -47.92 78.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.22 166.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -72.06 -6.45 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -85.44 -46.98 10.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.264 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.8 p -81.02 -20.27 42.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -135.97 144.2 45.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -59.58 151.29 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.228 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.84 -41.03 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -150.26 152.37 34.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -169.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.77 -16.09 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -110.67 -31.23 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -111.31 102.29 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.85 75.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -170.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.511 ' CG2' HG21 ' A' ' 45' ' ' VAL . 9.2 mm -113.48 146.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -121.26 152.01 39.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.243 159.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.68 102.33 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -115.91 152.83 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -179.645 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.799 0.333 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.28 120.25 53.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -58.44 149.57 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.702 1.601 . . . . 0.0 111.232 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.406 ' O ' ' HA2' ' A' ' 9' ' ' GLY . 73.1 m-70 -83.04 116.38 63.92 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 176.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -76.98 -2.73 12.99 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 121.651 1.567 . . . . 0.0 111.203 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.1 m95 -55.4 146.25 20.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 55.08 -104.91 0.24 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 -172.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -128.69 24.76 5.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 58.84 -117.97 12.54 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -100.62 38.93 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 111.181 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.8 tt -51.54 139.43 28.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -68.98 147.51 68.07 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.745 1.63 . . . . 0.0 111.164 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.29 -34.72 64.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.235 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.79 -62.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.195 173.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tptt -71.1 -38.54 72.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.194 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.09 -41.41 98.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.215 -173.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -73.86 -38.51 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.208 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -57.59 -46.68 83.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.219 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 55.3 mtm -60.33 -44.41 95.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 178.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 92.9 mt -61.52 -36.73 81.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.225 -179.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.9 p -74.95 -5.6 44.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.265 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.54 -25.6 14.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 171.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -69.34 -40.23 77.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.191 173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 59.97 25.94 15.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.229 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -103.29 96.25 6.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.2 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -55.37 131.61 46.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.197 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 -22.41 39.65 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.62 161.84 19.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.807 0.337 . . . . 0.0 111.192 -178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -152.55 163.4 39.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.9 tt -127.97 122.37 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.221 169.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 79.9 mt -99.96 131.0 48.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.204 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 32.4 ptt-85 -145.28 153.27 41.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -173.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -93.51 143.23 26.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 t -83.54 142.23 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -83.06 -28.14 29.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.9 p -78.04 -22.6 48.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.74 76.22 35.45 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.205 173.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -54.43 138.86 74.39 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.695 1.596 . . . . 0.0 111.241 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.98 -20.62 50.1 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -104.69 156.48 17.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.175 177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.3 160.2 29.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -173.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.5 m -113.69 153.04 29.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.202 164.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 tt -123.21 107.74 12.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 175.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.6 m -100.84 109.23 21.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.3 p -103.55 125.57 58.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -167.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 28' ' ' ALA . 26.3 tptp -81.95 89.78 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -104.01 128.87 51.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 172.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.17 -126.01 41.12 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -109.21 20.21 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.784 0.325 . . . . 0.0 111.241 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -135.28 173.12 12.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.1 t -126.44 133.09 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -108.99 144.39 37.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.627 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.4 t-80 -103.77 119.01 38.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 -175.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -103.97 150.36 24.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -95.3 120.06 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 177.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.5 t -103.43 108.63 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.217 178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.1 mt -114.27 136.99 52.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 -160.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -84.36 133.36 34.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.223 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 28.5 p30 -95.99 -176.58 3.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.43 -2.29 83.99 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.46 -10.5 46.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.241 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.75 8.21 76.96 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -99.98 170.26 8.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.174 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -117.3 146.45 43.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -143.23 166.52 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.227 173.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -138.31 -56.92 0.65 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.441 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.3 m95 -93.86 176.5 6.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.228 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -62.57 -22.6 30.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 163.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.9 t -80.08 123.93 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.67 129.48 40.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 -173.065 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -116.88 -176.32 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -62.46 -24.51 67.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -172.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.5 p -154.1 159.83 41.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.7 tp -49.92 -41.98 47.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.166 169.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.58 -37.95 79.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.22 -176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -72.29 -43.07 64.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.194 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -75.18 -30.13 60.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -169.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.13 -27.37 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -72.94 -41.95 63.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.203 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -55.33 -48.38 74.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 168.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -87.67 12.13 13.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.8 ttp85 -85.65 -39.46 17.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.227 163.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.8 p -85.52 -24.56 27.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.8 m -126.51 138.06 53.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.192 -176.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.8 t -58.21 147.7 29.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.197 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.1 m -74.6 -15.85 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.4 t -152.97 152.73 31.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 -170.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -84.37 -12.74 53.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.188 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.65 -33.91 6.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.232 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -111.92 97.41 6.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -72.62 72.56 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.19 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.459 ' CG2' HG21 ' A' ' 45' ' ' VAL . 60.3 mt -115.23 133.19 62.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -178.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -111.95 158.18 19.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 170.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.32 104.25 13.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 173.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 92.3 mtt-85 -112.67 146.65 38.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -174.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 C--O 1.199 -1.557 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.62 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.793 0.33 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.31 127.61 93.37 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.37 174.0 13.41 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.728 1.619 . . . . 0.0 111.232 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -64.42 135.93 96.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.223 178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -75.96 -9.42 19.43 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 121.744 1.629 . . . . 0.0 111.204 174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -62.79 142.04 58.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.261 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 49.93 -105.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.189 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -127.06 15.36 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 -172.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.91 -127.8 41.85 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -176.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -83.83 60.8 5.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 111.248 176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.414 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 9.7 tt -69.97 139.84 88.23 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.254 167.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.414 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 95.1 Cg_endo -67.23 146.25 75.25 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.719 1.612 . . . . 0.0 111.223 171.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -55.85 -35.17 66.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 172.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.31 -64.66 0.44 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.212 171.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -71.08 -38.45 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.218 -168.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.64 -40.38 96.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 -174.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -72.73 -39.83 66.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -56.73 -47.62 79.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.7 mtm -60.75 -43.67 97.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.95 -36.18 83.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.227 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.2 p -77.66 -12.39 59.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.91 -26.26 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.179 168.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.99 -38.9 86.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 176.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 58.06 36.89 26.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -119.98 95.4 4.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 93.8 m-20 -59.09 136.16 57.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 175.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 100.98 -23.11 36.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -173.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.33 157.39 35.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 111.205 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -147.4 162.92 38.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.226 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -129.23 113.95 15.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.257 168.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 72.4 mt -89.11 133.21 31.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.8 ptt-85 -147.1 160.33 42.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.183 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.42 134.32 33.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 175.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -67.71 141.58 56.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -86.01 -32.27 21.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.166 173.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -79.76 -21.8 43.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.8 75.54 49.07 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 174.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -54.24 139.94 72.39 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.686 1.591 . . . . 0.0 111.165 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.23 -19.18 55.5 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -105.92 158.62 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.759 0.314 . . . . 0.0 111.181 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -110.2 156.67 20.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 -176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.1 m -116.34 154.57 29.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.13 159.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.37 110.48 15.71 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.181 172.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.6 m -99.81 110.22 22.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.155 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -104.71 121.81 57.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -172.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.636 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER -85.16 96.43 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 172.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -128.74 122.0 29.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 169.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.418 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 88.3 39.36 6.86 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 58.98 22.89 10.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -154.64 169.22 24.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 172.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 63.0 t -115.23 128.85 72.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -171.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -102.87 150.03 23.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.203 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -110.74 127.04 55.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -176.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -111.32 152.21 27.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.195 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 pttt -91.74 127.77 37.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 175.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.8 t -112.98 112.03 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.275 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 44.1 mt -118.05 159.67 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.222 -163.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -92.81 134.62 34.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -90.4 -170.01 2.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.159 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.19 -16.3 64.38 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -174.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.04 -10.51 54.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.795 0.331 . . . . 0.0 111.241 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.77 11.29 81.86 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -168.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -97.38 147.75 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.79 0.329 . . . . 0.0 111.238 -175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -83.82 139.97 32.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.238 -172.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -147.14 168.81 20.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.268 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.2 tt -134.19 -61.13 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.4 ' CD2' HD22 ' A' ' 66' ' ' LEU . 64.5 m95 -88.4 174.05 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 -178.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.14 -23.4 33.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.241 164.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -73.88 130.56 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 166.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.0 tptm -133.2 134.58 44.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 -172.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -129.2 -169.0 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 171.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -65.89 -24.72 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 -169.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.1 p -154.98 161.54 41.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.7 tp -53.08 -48.28 67.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.258 172.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.74 -35.26 75.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.204 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -70.21 -45.59 66.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.411 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.8 -30.14 61.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.196 -170.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.4 m -75.71 -24.74 17.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.196 175.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.69 -40.14 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 170.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -55.7 -47.81 76.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.199 167.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -86.34 14.8 6.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 177.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -89.89 -44.88 9.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 164.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.0 p -76.64 -21.47 55.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.0 m -134.37 142.8 47.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.24 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.3 t -49.83 156.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.181 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 18.5 m -73.42 -19.92 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 177.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.3 t -162.24 156.52 21.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.58 -17.27 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 172.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -113.14 -40.84 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.217 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -93.73 95.75 9.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -75.63 75.45 2.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -165.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 8.6 mm -120.01 140.03 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 173.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -114.78 149.86 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 162.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.5 mt -110.04 105.65 14.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 172.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 27' ' ' GLY . 79.5 mtt180 -124.0 161.76 24.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 -173.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 . . . . . 0 C--O 1.2 -1.512 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.232 177.842 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.81 129.24 92.91 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_endo -76.34 174.12 13.36 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.616 1.544 . . . . 0.0 111.253 -177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -65.48 134.81 95.64 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.21 -9.81 20.63 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.661 1.574 . . . . 0.0 111.195 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.79 140.36 58.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 48.53 -105.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -178.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.85 16.29 7.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.231 -172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.19 -129.64 43.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.57 60.87 5.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.7 tt -69.41 139.37 89.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 168.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -66.8 145.5 75.2 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.7 1.6 . . . . 0.0 111.149 170.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.81 -35.21 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 172.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.37 -65.15 0.37 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 170.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -71.14 -38.76 72.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 -167.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.36 -39.99 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.232 -174.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -71.67 -39.37 70.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.5 -37.72 68.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.186 176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.409 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.6 mtt -64.78 -54.21 34.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 177.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.3 mt -64.48 -34.4 78.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 -170.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.6 p -75.46 -9.3 58.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.263 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -98.78 -24.46 15.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.207 172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -68.02 -35.65 78.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 172.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 59.78 29.9 19.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -113.45 92.64 4.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -59.29 135.16 57.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.131 174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 95' ' ' ARG . . . 105.17 -26.5 21.81 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -172.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 158.41 29.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.342 . . . . 0.0 111.155 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -148.49 161.36 41.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.172 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -128.55 113.08 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.156 169.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 65.8 mt -86.91 132.86 31.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 45.1 ptt85 -145.81 164.44 31.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.192 -173.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -83.41 139.41 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.5 t -82.78 113.31 20.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.05 -32.92 73.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.215 -177.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.5 p -78.95 -9.72 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.55 72.45 9.84 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.153 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_exo -55.27 140.6 81.68 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.734 1.623 . . . . 0.0 111.23 -173.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.53 -36.64 4.08 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -88.67 159.37 17.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 111.18 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -107.16 154.8 20.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.8 m -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.214 160.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 tt -122.15 109.91 15.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -98.58 108.39 21.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.559 HG21 ' CG2' ' A' ' 92' ' ' ILE . 13.0 p -103.03 124.43 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -172.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.1 tptp -88.71 94.7 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 174.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -129.67 130.67 45.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.226 172.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.79 38.22 17.04 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.0 t30 60.02 27.28 16.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.182 -179.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -156.79 172.42 18.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.269 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 80.1 t -118.28 129.31 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.202 -176.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -106.19 149.97 26.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 169.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -107.36 126.9 53.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -112.41 147.65 36.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.172 173.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -90.01 121.58 32.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.7 t -104.88 106.27 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.3 mt -110.72 140.63 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -161.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -78.11 137.78 38.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 175.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -91.07 -170.4 2.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.279 172.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -68.17 -13.95 65.44 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.98 -11.03 51.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.231 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.99 16.67 71.76 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -168.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -103.72 146.62 28.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 111.187 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 -167.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -141.67 166.02 25.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.23 171.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.9 tt -135.06 -63.32 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -178.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -91.54 -97.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.229 -169.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.0 t -139.19 -56.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.22 -178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.15 141.1 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.179 171.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.6 tptm -124.23 128.33 49.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.222 -175.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -117.26 -178.45 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.8 -22.45 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 31.0 t -151.13 149.46 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.1 tp -44.43 -40.85 5.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.198 168.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -11.98 61.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.174 -170.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.51 -40.75 9.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.183 -178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -74.63 -29.28 61.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.246 -175.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.7 m -72.86 -25.56 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 173.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.51 -42.12 59.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.197 171.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -53.13 -46.63 68.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 168.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -88.88 18.71 4.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -93.99 -47.83 6.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 164.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.0 p -75.63 -20.62 58.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.7 m -132.88 145.91 51.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.176 176.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.0 p -56.65 163.22 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.155 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.85 -14.44 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.4 t -167.4 158.98 12.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.222 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.42 -23.29 50.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -109.68 -41.41 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.232 -173.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -91.72 95.41 9.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -76.73 76.51 3.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.178 -166.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.559 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -120.07 140.0 45.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 171.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -116.6 148.59 40.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.227 163.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.2 mt -108.57 105.83 15.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.206 173.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' GLY . 99.6 mtt180 -123.23 161.33 24.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 -172.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 179.341 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtm . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.784 0.326 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -117.54 149.76 45.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -77.03 173.26 14.74 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.712 1.608 . . . . 0.0 111.153 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -87.77 120.02 70.77 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -78.15 46.62 2.14 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.64 1.56 . . . . 0.0 111.192 173.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 61.8 m95 -135.79 170.35 16.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.231 -171.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -99.62 143.54 29.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 168.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.1 m-30 -65.02 -27.75 69.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -16.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.73 -126.84 8.46 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 84.2 tttt -83.13 52.17 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.185 172.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.444 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 12.3 tt -58.06 137.29 84.09 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.184 163.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.3 147.39 78.11 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.654 1.569 . . . . 0.0 111.136 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -52.8 -37.27 59.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.225 170.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.23 -65.99 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.185 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -71.13 -37.68 72.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 -169.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.2 -42.9 99.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.266 -174.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -71.99 -37.74 69.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.161 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -56.17 -45.84 79.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 174.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.406 ' CE ' HD11 ' A' ' 11' ' ' ILE . 54.0 mtm -65.01 -38.24 90.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.177 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.7 mt -65.37 -36.14 83.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.7 p -74.98 -19.83 59.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -84.71 -30.45 24.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 166.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -90.44 84.27 5.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.195 176.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -73.58 67.02 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.212 -170.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -130.04 95.79 4.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -52.69 133.05 36.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.43 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 100.43 -24.86 30.48 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.545 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.72 161.61 9.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.768 0.318 . . . . 0.0 111.247 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.4 p90 -150.36 159.1 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.4 tt -124.25 110.9 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.203 169.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.1 mt -90.34 132.05 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 35.6 ptt-85 -146.23 164.94 30.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.201 -170.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -71.29 134.14 46.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.6 t -57.21 140.53 49.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.194 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -91.68 -20.04 22.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 98.3 p -104.64 -22.8 13.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.76 81.64 14.63 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.183 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.41 138.67 56.36 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.737 1.625 . . . . 0.0 111.217 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 105.19 -22.92 31.87 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 -173.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -105.72 164.21 12.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.0 m-30 -112.57 165.36 12.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.0 m -123.62 152.93 41.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 166.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -123.94 105.93 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.168 173.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -100.45 110.98 23.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.5 p -104.45 123.52 58.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.219 -166.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' N ' ' O ' ' A' ' 28' ' ' ALA . 4.7 tptm -82.15 90.61 6.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 177.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -103.95 127.6 51.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.239 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.13 -126.37 42.19 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -170.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.76 -1.55 32.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.799 0.333 . . . . 0.0 111.218 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -108.82 165.49 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 37.9 t -121.59 132.46 70.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 171.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -109.92 147.69 32.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -104.19 128.47 51.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.3 m-30 -111.56 146.42 37.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -87.57 121.41 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.1 t -110.17 112.09 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -120.03 143.23 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.2 -159.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -78.91 131.0 36.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.188 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.2 p30 -93.92 -172.93 2.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 176.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.81 -4.03 81.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -172.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.09 -9.29 48.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.765 0.316 . . . . 0.0 111.193 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 13.22 76.18 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.6 mtmt -106.11 157.6 17.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 -176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -99.77 139.56 35.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -139.99 171.98 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.239 174.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.535 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.7 tt -135.81 -62.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.23 -177.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.483 ' CD2' HD22 ' A' ' 66' ' ' LEU . 80.5 m95 -91.41 173.79 7.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 -176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.4 -23.39 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 162.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.0 t -73.75 128.72 36.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 165.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tptm -133.59 132.82 41.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.221 -173.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -124.65 -170.17 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 171.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -63.85 -24.77 67.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.232 -170.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.8 p -156.36 162.17 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.04 -48.62 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.238 170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -60.94 -31.18 70.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -176.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.77 -45.0 38.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -75.05 -30.24 60.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.235 -169.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.6 m -72.66 -23.72 21.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.226 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.05 -40.96 64.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.21 172.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.9 -47.99 76.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.261 167.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -85.53 11.9 9.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttp85 -88.89 -41.34 12.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 162.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -69.71 -39.54 76.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.5 m -119.76 136.52 54.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.4 t -57.45 147.04 27.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.425 ' HB ' ' CZ2' ' A' ' 67' ' ' TRP . 34.0 m -77.08 -14.01 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -137.5 148.49 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 -171.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -92.21 -3.22 55.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -109.71 -30.69 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.252 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -123.83 133.23 53.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.17 73.03 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.516 ' CG2' HG21 ' A' ' 45' ' ' VAL . 28.1 mt -109.02 115.49 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 -177.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.43 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 32.9 m-85 -117.23 118.09 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.149 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.4 mt -71.0 78.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -171.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.9 mtt85 -87.1 158.26 19.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.196 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 . . . . . 0 C--O 1.201 -1.49 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.215 176.053 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.7 mtp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.819 0.342 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -67.53 125.09 90.71 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.33 174.47 12.35 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.71 1.607 . . . . 0.0 111.201 -176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.36 139.69 94.74 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.62 -11.28 22.2 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.7 1.6 . . . . 0.0 111.165 173.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -65.62 143.25 57.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.155 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 49.78 -105.74 0.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -127.87 14.91 6.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.33 -126.08 35.78 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 84.6 tttt -83.47 54.83 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.714 0.293 . . . . 0.0 111.157 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' CE ' ' A' ' 19' ' ' MET . 8.4 tt -70.01 139.79 88.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.197 172.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.411 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 92.4 Cg_endo -67.46 148.25 78.76 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.72 1.613 . . . . 0.0 111.181 170.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -56.59 -35.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 171.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -64.05 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.217 172.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -71.19 -38.91 72.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.262 -168.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.446 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.16 -39.51 92.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 -175.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -71.85 -40.4 69.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.239 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -54.97 -42.05 71.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.426 ' CE ' HD11 ' A' ' 11' ' ' ILE . 15.7 mtt -58.44 -47.32 84.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.0 mt -74.53 -37.43 63.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 -171.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -66.55 -23.34 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -87.64 -32.49 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.53 -37.71 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? 56.33 40.22 29.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.162 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -115.66 90.68 3.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -53.9 127.32 25.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.78 -25.54 25.23 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.77 148.62 38.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -143.66 157.22 44.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 -172.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.0 tt -127.83 114.5 17.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.158 173.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.2 129.19 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.4 ptt85 -141.75 166.29 25.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -88.14 135.52 33.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.222 174.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -61.1 140.45 57.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.204 -177.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -83.57 -13.01 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.9 p -109.67 -22.31 12.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.202 -175.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.94 75.78 47.62 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.184 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.92 140.27 58.79 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.218 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.47 -21.98 40.61 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -104.52 156.46 17.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 111.178 176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -105.24 155.37 19.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.239 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.1 m -119.03 151.44 38.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.245 160.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 3.5 tt -122.41 112.09 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 175.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.7 m -101.49 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.182 -178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 92' ' ' ILE . 8.2 p -107.9 127.69 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -172.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 15.4 tptp -89.78 88.97 7.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -105.35 132.17 51.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 173.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.22 -123.75 31.92 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -168.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -113.9 11.27 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.23 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -135.81 129.01 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.248 -173.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.5 t -81.94 130.75 35.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -108.0 146.21 32.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -106.02 124.2 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.263 -173.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' A' ' 66' ' ' LEU . 12.8 m-30 -106.38 137.85 43.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.168 175.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 ptmt -72.49 126.38 29.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 170.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 98.4 t -118.84 110.95 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 171.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.4 mt -109.94 141.97 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.212 -163.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 52.4 ttp180 -79.87 134.37 36.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.16 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 41.1 p30 -94.29 -174.75 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.217 174.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.81 -1.04 86.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.61 -10.46 43.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.752 0.31 . . . . 0.0 111.145 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.9 10.53 72.08 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.196 -0.761 . . . . 0.0 111.196 -167.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -108.27 176.2 5.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.795 0.331 . . . . 0.0 111.22 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -125.18 144.52 50.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -169.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -138.25 169.22 18.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 173.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.43 -67.14 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 -175.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.403 ' CE2' HD22 ' A' ' 66' ' ' LEU . 93.6 m95 -91.83 -91.96 0.15 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 -172.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 85.8 t -139.85 -59.7 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.261 179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 p -60.43 138.65 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 167.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.436 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 12.1 ttpt -139.81 140.51 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.229 175.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -112.29 -166.67 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.259 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -59.71 -20.12 54.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -174.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 39.9 t -154.39 149.4 26.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 178.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.6 tp -44.0 -38.11 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.172 165.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -74.33 -3.86 32.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.219 -172.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -103.85 -38.19 7.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.2 pp -72.12 -26.99 62.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.8 m -70.82 -25.53 26.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.207 172.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -74.77 -42.09 58.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 171.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.0 t80 -53.54 -47.05 70.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.197 169.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -90.16 20.35 4.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.4 ttp85 -93.95 -48.39 6.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 164.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.5 p -76.07 -21.38 56.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.233 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -129.96 142.92 50.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 73.6 p -60.31 162.9 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.199 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.8 m -83.44 -14.67 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -157.57 154.54 28.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 -174.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.51 -23.25 58.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.23 174.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -112.41 -40.98 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.269 -175.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -96.16 69.81 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -77.01 65.9 2.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -159.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' CG2' HG21 ' A' ' 45' ' ' VAL . 63.2 mt -94.51 140.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -113.93 149.39 35.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 175.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.3 mt -104.77 90.59 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 177.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 74.3 mtt180 -103.4 165.2 11.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -171.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.4 t0 . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 171.101 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.14 146.75 68.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.26 173.36 14.3 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.255 177.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -72.65 138.0 80.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.132 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -73.68 -11.39 24.06 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.703 1.602 . . . . 0.0 111.223 172.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -66.18 145.77 55.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.204 -177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -107.11 140.19 40.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.229 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -91.89 21.17 5.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.173 9.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -39.37 -56.84 2.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -178.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.899 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 46.7 tptt -111.03 47.03 1.02 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.766 0.317 . . . . 0.0 111.212 177.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 11.5 tt -74.88 139.9 73.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 164.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 90.3 Cg_endo -68.89 149.17 72.05 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.75 1.633 . . . . 0.0 111.151 169.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -55.9 -35.38 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.223 171.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.51 -63.17 0.81 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 173.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -71.34 -38.74 71.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.203 -168.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.31 -43.99 95.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -70.43 -38.5 74.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -57.82 -46.18 85.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.42 ' CE ' HD11 ' A' ' 11' ' ' ILE . 58.5 mtm -63.83 -38.73 92.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.8 mt -66.63 -31.22 71.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 179.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.3 p -83.05 -24.9 32.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -68.84 -38.68 79.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.18 164.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.7 tp-100 -70.4 145.62 50.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.169 164.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.88 -12.82 10.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.82 87.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -51.57 139.53 20.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.1 -35.7 4.88 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.28 153.57 30.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.166 -178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -146.67 161.63 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 -172.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 tt -126.59 115.73 19.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 172.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 61.9 mt -92.23 132.38 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.259 177.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 25.1 ptt-85 -147.44 163.83 35.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.205 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -75.3 137.42 41.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.243 175.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 t -58.5 141.34 52.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -90.64 -1.47 57.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -116.93 -24.87 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.4 79.46 25.07 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.242 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -52.21 140.5 51.38 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.625 1.55 . . . . 0.0 111.243 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.99 -34.7 5.41 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -174.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -96.96 156.39 16.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 111.181 175.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -110.92 159.94 17.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -171.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.3 m -118.6 152.73 35.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 165.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -121.72 111.19 16.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.225 174.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.6 m -98.9 110.4 23.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.8 p -104.88 123.82 59.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -171.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' NZ ' ' O ' ' A' ' 20' ' ' LEU . 4.4 tptm -86.13 93.55 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.272 175.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -129.99 129.65 44.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.204 170.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.57 36.33 20.2 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 173.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 61.02 20.72 11.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.84 0.352 . . . . 0.0 111.172 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -148.87 173.99 12.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.214 171.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.5 t -118.8 124.53 73.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.264 -174.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -96.37 147.96 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 169.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.522 ' C ' ' ND1' ' A' ' 53' ' ' HIS . 1.8 t-80 -109.98 118.49 36.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.162 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.5 m-30 -105.51 150.75 25.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -90.6 123.41 34.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.195 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 92.8 t -109.92 106.06 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.241 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.8 mt -109.98 146.5 35.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.185 -164.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -77.93 140.75 39.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 173.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.536 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.8 p30 -92.91 -170.67 2.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 169.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.98 -10.74 68.84 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 -174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -11.28 46.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 111.197 179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.24 16.72 71.01 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -168.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -104.14 146.65 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.328 . . . . 0.0 111.223 -177.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -91.96 140.7 29.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -168.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -144.01 167.23 22.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.169 172.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -134.18 -63.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 -177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -91.05 -97.96 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.29 -168.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -139.87 -56.23 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.183 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -57.8 140.61 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.197 170.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.536 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.7 tptm -124.14 128.09 48.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 -175.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -116.55 -172.26 2.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.22 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -66.34 -26.18 67.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 93.6 p -158.22 162.8 37.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.4 tp -47.6 -41.6 22.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.228 174.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -63.22 -23.06 67.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.217 -171.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -87.13 -42.96 12.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.166 -175.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -74.08 -29.43 61.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 -172.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -73.36 -25.48 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -74.33 -40.25 62.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.201 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -55.0 -47.33 74.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.275 167.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -86.72 15.32 5.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.231 177.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -90.83 -48.65 6.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 164.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.9 p -75.82 -20.39 58.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.261 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.0 m -132.62 145.66 51.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 177.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 68.5 p -57.15 163.65 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.34 -13.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 177.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.9 t -167.02 159.7 13.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.255 -171.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -79.93 -20.58 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.17 171.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -113.32 -40.12 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 -174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -92.84 94.81 9.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.19 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -77.71 75.68 4.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.228 -165.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.542 ' CG2' HG21 ' A' ' 45' ' ' VAL . 6.7 mm -116.92 142.09 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.23 170.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -119.34 148.73 42.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 163.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.0 mt -107.82 95.68 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.246 173.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -114.23 170.51 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.179 -171.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.226 -178.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mtp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.39 127.59 91.38 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.177 176.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.37 160.15 39.24 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.678 1.585 . . . . 0.0 111.169 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -81.07 141.83 50.86 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -79.33 -8.23 15.07 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.677 1.584 . . . . 0.0 111.225 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -59.6 142.56 52.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 52.79 -100.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -131.21 15.89 5.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -172.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.89 -122.18 29.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -91.83 54.29 2.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.763 0.316 . . . . 0.0 111.231 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.409 HD11 ' HE2' ' A' ' 19' ' ' MET . 10.3 tt -65.62 139.78 97.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.217 173.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -67.95 147.44 74.21 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.739 1.626 . . . . 0.0 111.197 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -56.6 -34.64 67.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.196 171.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.63 -63.36 0.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -71.01 -39.36 72.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.267 -170.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -63.65 -31.84 73.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.245 -173.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -76.19 -47.17 25.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.22 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.91 -40.84 70.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.409 ' HE2' HD11 ' A' ' 11' ' ' ILE . 47.4 mtm -64.85 -27.53 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.188 -174.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.0 mt -86.61 -34.05 19.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.193 -177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.5 p -73.28 -16.85 61.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.157 176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -91.92 -28.43 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.191 170.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -65.55 -36.84 84.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.17 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.5 mmm180 60.3 36.29 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.197 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -123.47 90.83 3.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 1.7 m-20 -61.38 132.23 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.207 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.53 -31.07 8.14 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -168.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.5 150.04 41.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 111.152 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -146.13 165.98 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.254 -173.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -133.75 128.3 34.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 173.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 81.4 mt -104.94 129.99 56.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.221 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.1 ptt-85 -144.24 156.47 44.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.193 -173.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -90.82 137.39 32.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.0 t -76.21 142.07 41.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -84.08 -17.74 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 170.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.2 p -91.22 -22.43 20.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 -178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.3 76.71 37.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 172.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.41 138.36 65.34 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.713 1.609 . . . . 0.0 111.256 -178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.38 -20.41 50.45 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -107.97 156.01 19.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 0.0 111.226 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -121.0 156.59 31.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -113.65 152.13 30.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.18 164.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -121.07 111.58 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 175.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 m -99.78 109.69 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.259 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.6 p -109.56 124.11 66.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 -173.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.7 tmtt? -91.83 90.68 7.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -127.15 126.28 42.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 172.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.71 34.26 7.02 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.3 t30 59.12 27.05 15.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.747 0.308 . . . . 0.0 111.149 -176.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -159.02 169.93 23.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.165 173.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 96.5 t -113.58 124.52 70.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.22 -173.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -94.55 148.02 22.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.141 170.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.618 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.1 t-80 -108.02 121.06 44.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.6 m-30 -105.55 148.5 27.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.209 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -88.65 126.92 35.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -108.54 117.94 55.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.165 174.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 mp -122.4 144.49 49.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -159.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -83.15 138.77 33.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 45.8 p30 -91.7 -168.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.174 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.12 -16.73 64.86 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -173.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.95 -10.29 53.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.188 -179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 80.98 17.62 71.87 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -166.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.5 mttm -103.51 150.24 24.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.764 0.316 . . . . 0.0 111.225 -175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -93.76 138.17 32.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -163.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -142.65 170.96 14.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.213 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.5 tt -136.54 -62.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 -178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -89.06 -103.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 -166.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -134.56 -11.73 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.61 134.85 61.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.221 -176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -105.7 133.96 49.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -174.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -122.37 -173.98 2.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.192 172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.8 -24.62 67.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 -172.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 84.4 p -156.3 161.83 40.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.188 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.2 tp -53.05 -47.05 68.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 169.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.97 -33.11 70.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.254 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -73.57 -44.88 56.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -74.54 -28.4 60.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -171.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 30.2 m -76.35 -25.25 16.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.178 174.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.47 -39.75 70.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.23 170.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.04 -47.33 78.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.241 167.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.43 ' ND1' ' O ' ' A' ' 77' ' ' LEU . 66.8 m80 -82.1 9.6 8.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 178.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -90.18 -48.15 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.3 p -77.08 -21.52 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.164 -178.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.95 141.6 49.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.166 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 74.3 p -60.01 157.93 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.203 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 19.6 m -78.96 -13.88 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.209 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 40.4 t -167.92 175.07 6.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 -171.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -99.26 -13.43 19.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.2 170.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -118.51 -37.72 3.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -178.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.62 84.41 5.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -75.65 77.15 2.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 -165.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.534 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.0 mm -115.29 142.73 27.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.17 171.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -120.59 148.37 43.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 161.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 32.0 mt -107.87 96.25 6.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 174.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -112.63 157.28 21.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 -171.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.23 178.065 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mtp . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.83 0.347 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -70.2 124.73 91.31 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 176.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -77.3 166.58 26.0 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.697 1.598 . . . . 0.0 111.19 -176.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -70.24 138.35 86.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.197 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -90.02 -3.24 5.46 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.651 1.567 . . . . 0.0 111.182 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.487 ' O ' ' N ' ' A' ' 8' ' ' PHE . 85.9 m95 -71.29 112.49 7.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -156.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 t80 60.09 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 176.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 6' ' ' TRP . 20.2 m-85 -105.44 -28.29 10.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 53.06 -131.04 41.25 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -80.21 54.36 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 111.223 176.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.442 ' HB ' ' HB3' ' A' ' 8' ' ' PHE . 13.2 tt -67.1 138.47 94.81 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 173.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -69.17 152.28 72.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.684 1.589 . . . . 0.0 111.191 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -55.89 -36.79 68.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.194 171.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -42.8 -63.69 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 175.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -70.5 -38.71 74.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.158 -170.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.3 -38.94 91.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.243 -174.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -71.64 -40.66 69.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.176 178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -55.93 -46.99 78.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.142 176.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.401 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.0 mtm -63.31 -39.6 95.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 91.1 mt -65.86 -35.39 80.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.228 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 96.0 p -76.8 -11.01 59.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.26 -27.09 20.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.225 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -73.27 -43.07 61.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.226 171.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 53.78 29.95 10.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -96.21 96.11 8.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 -175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.475 ' CG ' ' H ' ' A' ' 48' ' ' GLY . 28.3 t0 -58.56 122.34 13.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.282 -177.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.99 -27.82 12.23 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.66 159.65 21.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.796 0.332 . . . . 0.0 111.245 -176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -148.09 157.55 43.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 -175.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.7 tt -124.28 113.49 18.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.18 169.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.5 mt -90.68 130.9 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.19 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.2 ptt85 -144.87 166.84 24.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -172.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -88.96 136.22 33.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.212 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -66.31 142.22 57.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -82.3 -32.48 29.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.249 173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 97.4 p -85.23 -22.78 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.25 76.23 44.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -53.28 140.68 61.75 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.726 1.618 . . . . 0.0 111.157 178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.12 -25.07 29.69 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -99.41 155.7 17.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.802 0.334 . . . . 0.0 111.191 174.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -110.93 154.54 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.8 m -114.92 156.35 25.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 167.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HB3' ' HB2' ' A' ' 54' ' ' PHE . 4.6 tt -125.56 108.32 11.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 174.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.8 m -100.36 108.65 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 -177.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.491 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -104.99 125.92 59.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.304 -169.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 49' ' ' ASN . 11.0 tppt? -85.98 92.98 8.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.184 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 14.6 p90 -102.9 128.42 49.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.154 173.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' H ' ' CG ' ' A' ' 26' ' ' ASP . . . 61.2 -118.61 15.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -163.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.5 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 69.7 m-80 -114.61 2.98 14.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.825 0.345 . . . . 0.0 111.192 177.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -110.69 158.75 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 60.7 t -110.42 132.67 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.165 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -109.23 147.2 32.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 171.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -105.39 120.86 42.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.176 -175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' HB3' HD21 ' A' ' 66' ' ' LEU . 10.2 m-30 -103.22 165.09 11.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.233 172.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 pttt -116.78 116.33 27.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.18 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 61.9 t -104.93 98.14 6.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.194 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 68.1 mt -102.84 144.65 30.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -160.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 55.1 ttp180 -88.8 128.79 35.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.21 171.92 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 176.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.28 -16.65 54.5 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -77.21 -14.84 59.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.78 0.324 . . . . 0.0 111.221 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.73 -3.79 86.01 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -166.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -77.49 144.25 37.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.861 0.362 . . . . 0.0 111.233 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -103.09 140.62 37.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -146.9 166.8 25.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.197 176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.511 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -128.18 -62.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -96.59 -91.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -135.43 -61.33 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.14 137.84 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.9 tmtt? -126.62 127.42 45.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -107.5 -176.09 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -60.04 -24.33 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.233 -175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 t -152.06 150.94 30.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.2 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.2 tp -47.15 -35.75 7.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 168.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.64 -9.38 58.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -173.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -98.22 -39.84 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.1 pp -72.22 -27.48 62.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -177.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -72.82 -26.04 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -74.57 -41.51 60.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 171.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -54.74 -46.63 74.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 168.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -90.01 16.39 8.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -91.16 -45.5 8.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 163.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.1 m -66.07 -40.14 90.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.9 m -119.83 136.13 54.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.34 149.16 13.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.248 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.2 m -67.7 -18.31 23.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.213 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.0 t -147.5 149.59 32.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.19 -172.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -75.73 -19.51 59.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.198 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -106.22 -32.85 8.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -110.08 97.29 6.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -74.07 74.98 1.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -169.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.491 ' CG2' HG21 ' A' ' 45' ' ' VAL . 54.6 mt -114.27 122.88 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -116.58 116.3 27.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.271 -177.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 34.8 mt -73.71 80.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.204 -170.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -83.79 152.69 24.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--O 1.2 -1.53 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 173.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -66.14 128.21 93.69 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.172 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -76.29 166.16 28.11 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.737 1.625 . . . . 0.0 111.232 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -76.68 138.54 66.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -79.36 -8.97 15.11 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.668 1.579 . . . . 0.0 111.2 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -59.23 141.08 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 52.34 -99.98 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -131.63 15.26 4.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -171.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.09 -121.96 27.91 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -91.65 56.13 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.303 . . . . 0.0 111.167 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.0 tt -68.64 139.72 91.59 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 173.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.401 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.9 Cg_endo -68.21 147.11 71.95 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.626 1.551 . . . . 0.0 111.227 170.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.08 -34.87 66.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 171.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.16 0.7 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.146 171.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 tptt -70.8 -38.83 73.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.214 -169.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.419 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -39.85 94.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.253 -174.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -73.4 -39.01 65.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.222 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -58.4 -46.03 87.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.186 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 58.1 mtm -61.78 -41.36 97.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 177.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.438 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 80.0 mt -62.78 -42.84 99.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.244 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.8 p -66.17 -20.99 66.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 -177.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -82.05 -31.77 30.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 168.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.571 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 5.3 tp-100 -79.53 108.26 12.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 176.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -84.04 1.98 41.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.147 -170.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 47.8 t60 -84.68 100.1 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.212 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.49 145.87 55.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.45 -22.71 39.38 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -171.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.31 149.61 47.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.172 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -145.92 164.24 32.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 -173.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.0 tt -131.52 118.84 20.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.193 175.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.6 mt -99.1 128.77 50.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 30.9 ptt-85 -142.24 156.22 45.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.269 -172.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -89.16 136.97 32.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -76.41 142.82 40.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -84.05 -30.77 25.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.4 p -78.16 -22.82 48.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.46 77.35 40.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 174.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -54.31 138.42 72.73 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.693 1.595 . . . . 0.0 111.2 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 95.74 -19.83 52.56 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -105.93 158.13 16.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.863 0.363 . . . . 0.0 111.154 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -123.01 157.33 32.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.163 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.3 m -111.75 155.25 23.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 163.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.0 107.14 11.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.7 m -97.06 113.29 24.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG21 ' CG2' ' A' ' 92' ' ' ILE . 14.9 p -111.72 126.93 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.156 -172.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 54.5 tttt -93.08 99.98 12.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 171.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -129.32 113.36 14.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.178 167.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.89 32.07 5.48 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.1 t30 59.49 27.8 17.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -177.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -158.28 158.7 34.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 40.2 t -109.05 130.55 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.184 -167.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -106.17 144.47 32.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.201 170.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.527 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.4 t-80 -104.34 119.16 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -105.14 164.85 11.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -114.41 118.99 35.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -177.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.21 108.25 24.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.86 150.66 38.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.192 -163.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -78.6 138.6 38.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.22 172.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 43.9 p30 -96.05 -172.85 2.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 170.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.52 -3.77 78.92 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -173.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.45 -10.0 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.342 . . . . 0.0 111.236 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.29 15.28 72.13 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -168.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -106.19 153.57 21.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.226 -177.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -96.46 140.45 31.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 -174.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -142.88 167.51 21.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.605 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.8 tt -135.19 -56.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -94.82 177.03 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.226 178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.9 m -64.31 -24.84 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 164.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.16 130.48 34.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 164.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 24.3 tptm -134.4 134.46 41.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -125.1 -176.61 3.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.199 168.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.89 -23.35 67.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.16 -173.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.6 t -152.55 149.53 28.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.184 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.0 tp -44.8 -40.23 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.244 168.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.54 -23.5 67.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 -173.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -89.2 -41.66 12.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -73.86 -30.08 62.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -172.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.2 m -71.38 -25.83 25.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.153 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.5 -41.68 54.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 173.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -55.82 -48.48 75.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 168.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -84.97 11.96 8.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.244 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 69.5 ttp85 -89.54 -44.66 9.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.252 164.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.9 p -81.03 -22.15 39.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.249 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.9 m -130.76 140.16 50.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.187 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 20.2 t -59.03 146.67 37.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.207 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.0 m -69.75 -19.69 23.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.143 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.1 t -153.96 154.57 34.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.212 -169.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.31 -24.79 62.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 173.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -109.47 -37.67 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -99.88 90.66 4.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -74.87 81.34 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 -170.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.565 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.2 mm -109.87 129.99 63.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.203 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -121.57 112.36 18.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 40.1 mt -77.08 78.73 3.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.259 -172.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt180 -91.42 159.01 16.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.19 -175.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 . . . . . 0 C--O 1.201 -1.499 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 177.819 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.805 0.335 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 88.6 tttt -84.01 121.94 75.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.229 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 65.2 Cg_exo -58.02 156.22 30.1 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 121.673 1.582 . . . . 0.0 111.165 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -86.16 114.67 58.51 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.215 176.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -77.63 46.53 2.05 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.711 1.607 . . . . 0.0 111.207 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' GLY . 53.3 m95 -133.62 124.47 26.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -175.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -78.24 139.94 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.195 -172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' GLY . 24.0 m-85 -96.3 25.4 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.205 13.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 6' ' ' TRP . . . -40.26 -57.97 2.51 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -108.58 32.82 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.191 -175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' O ' ' HD2' ' A' ' 32' ' ' ARG . 13.5 tt -64.69 137.26 97.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 175.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.26 149.41 45.47 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.701 1.601 . . . . 0.0 111.217 168.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -59.28 -29.84 67.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.19 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -44.13 -37.09 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 173.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -100.48 -43.37 6.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -175.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.67 90.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -77.24 -35.55 55.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.42 -48.24 81.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.229 172.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.5 mtm -59.97 -45.12 93.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.173 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 98.6 mt -64.16 -37.91 89.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 -179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -74.75 -11.15 60.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -90.45 -30.19 17.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -67.27 -39.7 86.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 60.01 22.71 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 -175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -98.51 86.65 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.194 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -54.87 129.33 37.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.94 -29.64 10.49 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.54 159.78 12.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.737 0.303 . . . . 0.0 111.214 -178.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.9 p90 -147.89 158.19 43.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.26 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.0 tt -126.6 113.84 17.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.238 170.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 76.7 mt -92.78 128.54 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.217 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 36.4 ptt85 -144.08 150.0 37.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -171.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.68 138.56 46.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.178 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -70.87 143.77 50.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -81.49 -19.99 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.18 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 96.5 p -95.67 -23.73 16.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -138.84 79.87 26.57 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.203 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -52.53 137.4 57.8 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.711 1.607 . . . . 0.0 111.175 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.12 -21.46 46.09 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.75 157.99 16.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 111.195 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -113.17 155.16 25.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.7 m -107.05 152.58 23.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 160.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -118.45 107.93 14.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.206 174.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 73.2 m -99.54 105.18 17.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -176.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.628 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.2 p -100.17 124.69 53.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 -165.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptp -77.32 87.27 3.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.244 175.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -117.19 128.15 54.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.228 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.66 -133.85 47.26 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -170.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -104.94 21.99 16.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -142.33 174.59 10.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.256 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 46.0 t -125.12 118.31 52.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.209 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -94.57 152.14 18.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.615 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.7 t-80 -109.53 116.54 31.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.413 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.5 m-30 -103.01 147.85 26.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.25 170.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -94.67 120.06 34.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.149 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.0 t -106.33 105.42 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.22 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.6 mt -114.22 146.31 40.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 -160.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -78.5 139.13 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 172.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.487 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 47.0 p30 -92.75 -170.2 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 171.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.06 -11.63 67.25 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.29 -10.37 49.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.332 . . . . 0.0 111.204 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.57 16.9 72.23 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -168.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.25 147.27 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.875 0.369 . . . . 0.0 111.208 -177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -91.34 139.27 30.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -167.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -143.64 171.22 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.191 172.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.492 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.4 tt -132.36 -58.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.187 178.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.467 ' CE2' HD22 ' A' ' 66' ' ' LEU . 80.9 m95 -97.38 170.69 8.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 178.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.1 t -53.08 -44.09 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 163.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.74 127.17 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 163.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.487 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -143.25 145.19 32.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 -177.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -123.24 -168.86 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.182 172.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -63.85 -24.56 67.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.205 -167.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 88.3 p -153.43 160.35 42.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.5 tp -52.54 -44.18 65.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.194 170.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.73 -35.98 77.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.158 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -73.9 -43.89 56.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 -176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.4 pp -73.37 -29.92 62.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 -170.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.0 m -75.61 -26.54 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.201 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -71.44 -41.42 69.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.24 170.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -56.53 -49.21 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 168.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 m-70 -84.47 11.73 8.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.235 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -89.65 -41.48 11.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.174 163.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -66.92 -38.41 86.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -128.57 138.95 52.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 -178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.8 t -57.2 148.33 22.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.9 m -69.46 -21.91 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.2 t -126.34 152.29 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -168.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -89.05 -5.0 58.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 173.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -114.65 -30.69 6.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -110.36 144.48 39.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 177.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.8 mm-40 -98.89 79.14 2.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.197 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.628 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.6 mt -119.05 110.69 30.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.169 -173.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -113.17 109.98 19.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.216 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 42.3 mt -72.35 79.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -169.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -78.56 146.34 34.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.7 t70 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.795 0.331 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.98 129.67 94.05 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 178.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -75.97 169.46 22.1 Favored 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 121.729 1.619 . . . . 0.0 111.254 -178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -69.14 136.91 89.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.229 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -74.78 -11.38 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.736 1.624 . . . . 0.0 111.278 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -59.0 137.58 57.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.155 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 51.62 -99.11 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -174.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.72 9.54 3.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.246 -170.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.2 -128.74 48.15 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -82.03 62.71 5.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 111.2 179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 tt -77.1 136.98 65.38 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 174.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -71.01 147.67 55.35 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.682 1.588 . . . . 0.0 111.17 171.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -58.38 -30.14 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.164 170.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.62 -37.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 tptt -99.52 -42.48 6.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.02 -40.56 96.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 -177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -76.9 -35.09 57.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.21 -46.6 88.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 172.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 59.3 mtm -63.57 -45.49 90.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -178.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.1 mt -59.49 -43.21 93.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.2 p -65.2 -18.34 65.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -92.57 -10.23 38.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -77.97 -26.06 48.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 53.37 38.88 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.249 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -139.95 101.91 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.247 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.46 140.13 58.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.216 176.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.0 -29.67 11.31 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -172.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.73 146.66 45.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.148 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -147.36 164.63 32.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -172.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.8 tt -136.2 124.17 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 176.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 62.5 mt -100.14 130.51 49.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OG ' ' A' ' 44' ' ' SER . 33.7 ptt-85 -144.79 157.86 44.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 -172.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -88.25 135.0 33.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.195 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.7 t -65.92 141.46 58.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 -178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -86.34 -9.35 56.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.202 172.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 94.1 p -105.22 -23.44 12.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -135.35 76.71 55.74 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -53.7 138.93 68.07 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.684 1.589 . . . . 0.0 111.182 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.82 -21.82 44.06 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -104.9 155.87 18.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.74 0.305 . . . . 0.0 111.214 176.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -115.48 153.06 31.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.214 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.9 m -109.06 154.34 22.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 161.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -121.99 110.74 16.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.154 176.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.637 ' OG ' ' NH1' ' A' ' 32' ' ' ARG . 62.9 m -94.8 116.48 28.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.9 p -116.95 130.82 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -176.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -99.0 102.05 13.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.227 173.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -128.27 125.68 39.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.236 167.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.54 23.07 44.58 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -172.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 62.56 17.47 9.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 0.0 111.146 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -136.02 134.29 38.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 171.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 64.8 t -85.49 123.3 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 -170.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -94.58 161.03 14.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.158 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -118.14 126.04 51.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.208 179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -108.09 165.93 11.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.224 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.1 pttt -115.81 117.74 31.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.216 -177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 60.2 t -105.04 102.45 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 mt -110.68 148.39 32.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.258 -162.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -80.53 138.04 36.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.233 166.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.2 p30 -89.5 -170.45 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.205 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.39 -13.76 63.28 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -175.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.89 -14.52 41.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.838 0.352 . . . . 0.0 111.188 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.39 9.83 78.53 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 -166.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -89.27 138.89 31.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 111.177 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -88.51 136.3 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -146.23 168.88 19.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.207 173.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.1 tt -131.96 -60.77 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 177.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -93.8 -96.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.215 -171.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.3 m -135.0 -15.63 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 -177.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.74 135.99 61.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.208 -174.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.3 tmtt? -112.57 134.64 53.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.162 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -115.94 -171.56 2.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -56.68 -26.92 57.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.235 -175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.1 t -156.98 154.49 29.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.258 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.9 tp -46.51 -36.7 6.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.189 166.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -73.94 -7.2 51.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -176.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -98.77 -40.02 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.257 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.536 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.3 pp -72.37 -28.13 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.256 -177.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -71.97 -25.97 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.167 172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -75.38 -42.82 53.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 171.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -53.5 -46.21 69.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 169.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -91.34 22.46 3.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.23 176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -96.38 -50.77 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 164.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 83.6 p -73.63 -20.74 60.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.178 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 92.0 m -130.78 144.45 51.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.28 174.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 78.4 p -57.6 162.41 3.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.176 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.0 m -77.31 -16.19 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.247 176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 30.5 t -164.7 156.78 15.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.217 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -76.09 -20.88 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.248 172.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -112.84 -40.93 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.179 -174.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -93.11 93.69 8.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.214 -176.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -77.73 75.96 4.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.205 -164.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.5 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.9 mm -114.8 142.89 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 172.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -121.08 151.11 40.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 161.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -108.13 94.04 4.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 173.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -107.88 153.58 22.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -171.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.2 -1.522 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.755 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.31 129.03 92.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.228 176.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.29 172.83 15.52 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.718 1.612 . . . . 0.0 111.202 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -64.99 134.92 96.21 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.28 -9.71 20.49 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.644 1.562 . . . . 0.0 111.205 172.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -64.01 141.26 58.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 48.82 -105.6 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -126.08 15.8 7.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.23 -172.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.4 -128.94 45.57 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -84.3 59.07 5.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 111.176 177.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.427 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -68.23 139.68 92.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.225 168.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 98.1 Cg_endo -67.51 146.88 75.72 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.146 171.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -55.87 -35.26 66.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 171.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.32 -64.44 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.229 171.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.92 -38.85 72.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 -168.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.24 -43.92 98.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.225 -175.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -69.97 -38.13 75.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.99 -45.77 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.427 ' HE2' HD11 ' A' ' 11' ' ' ILE . 62.9 mtm -65.65 -37.28 86.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 178.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 72.7 mt -66.57 -29.12 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.258 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.6 p -88.04 -20.49 25.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 -177.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -69.02 -39.31 79.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.221 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' O ' ' O ' ' A' ' 20' ' ' LEU . 5.4 tp-100 -69.21 145.59 53.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 162.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -116.73 -17.11 10.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 -178.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -58.91 124.91 21.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.125 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -83.43 139.98 32.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.188 173.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.91 -20.66 38.08 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -62.46 156.43 22.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.783 0.325 . . . . 0.0 111.167 177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -149.7 158.23 43.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -176.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -124.6 112.62 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.168 170.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.2 mt -90.95 131.03 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 178.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 34.9 ptt-85 -144.17 159.58 42.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -172.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -82.73 136.3 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -70.82 137.39 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.232 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -82.05 -32.22 30.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.255 173.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.7 m -71.64 -34.78 70.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.34 79.7 73.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 177.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -53.56 140.12 65.51 Favored 'Trans proline' 0 N--CA 1.457 -0.649 0 C-N-CA 121.745 1.63 . . . . 0.0 111.241 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.02 -35.11 5.1 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -176.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -91.2 160.83 15.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.728 0.299 . . . . 0.0 111.236 -178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -114.13 154.72 27.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.232 -176.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.3 m -109.43 155.03 21.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.244 157.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -122.56 108.47 13.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.234 175.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.4 m -99.8 109.07 21.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.222 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.586 HG21 ' CG2' ' A' ' 92' ' ' ILE . 12.8 p -103.89 124.46 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.223 -169.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 28' ' ' ALA . 3.0 tptm -88.53 92.16 9.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -129.75 121.33 26.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 172.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.43 35.56 6.53 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 173.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.2 t30 58.13 27.67 15.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.3 . . . . 0.0 111.143 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -156.91 171.45 20.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 173.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 39.8 t -118.09 132.33 68.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.125 -173.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -109.32 143.84 38.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.205 170.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.537 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -102.94 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.18 -176.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.417 ' HB3' HD21 ' A' ' 66' ' ' LEU . 9.4 m-30 -107.83 164.64 12.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 175.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 36.5 pttt -113.8 117.86 32.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 -174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.7 t -108.46 105.51 18.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.242 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 45.0 mt -114.91 144.99 42.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.22 -163.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -77.37 145.16 37.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 174.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.548 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 50.1 p30 -93.85 -170.06 2.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 165.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -72.21 -9.53 72.43 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -88.62 -10.93 46.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.802 0.334 . . . . 0.0 111.218 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.84 17.79 69.38 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 -168.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -106.91 147.39 29.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.178 -177.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -97.57 141.16 30.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.15 -163.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -144.19 171.65 14.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.229 170.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.522 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.76 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -176.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.427 ' CD2' HD22 ' A' ' 66' ' ' LEU . 98.9 m95 -89.96 -97.53 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -166.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.3 -58.82 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.8 p -59.45 137.64 21.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 161.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 87.0 tttt -128.23 144.36 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.244 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -120.08 -174.68 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.193 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -62.23 -23.72 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.25 -167.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.0 p -153.99 161.84 41.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.217 -178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.7 tp -52.85 -47.78 67.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.222 169.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.52 -28.2 68.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.185 -177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -78.72 -43.27 26.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.9 pp -74.79 -29.78 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -171.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.9 m -73.12 -23.74 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -73.34 -40.85 64.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 172.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -56.84 -48.62 77.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 167.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -84.3 12.05 7.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.191 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -90.39 -47.71 7.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 164.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.7 m -67.68 -38.95 84.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.194 177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.3 m -119.93 137.19 54.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 t -55.95 148.42 17.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.225 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.7 m -69.93 -19.75 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 24.5 t -154.74 155.33 34.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 -170.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -81.28 -12.88 58.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -114.33 -32.93 5.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -107.83 93.56 4.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -75.53 80.27 2.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -170.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.586 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.3 mm -109.83 129.96 63.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.243 177.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -122.21 110.57 15.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.203 174.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.83 77.17 2.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.209 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -89.2 150.58 22.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -175.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 . . . . . 0 C--O 1.2 -1.533 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 176.211 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mtp . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.816 0.341 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.41 130.55 94.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -72.85 155.43 53.48 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.706 1.604 . . . . 0.0 111.208 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.3 p80 -60.07 133.82 90.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -177.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.49 68.25 8.18 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.759 1.64 . . . . 0.0 111.141 -175.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -149.56 148.16 29.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.232 177.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.8 t80 60.94 -121.57 0.86 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -103.4 0.08 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.222 172.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.37 -122.76 25.47 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 10' ' ' LYS . 38.2 ttpt -78.9 67.36 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.823 0.344 . . . . 0.0 111.175 -179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.6 tt -77.44 136.18 64.63 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -71.32 146.88 51.86 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.687 1.592 . . . . 0.0 111.215 169.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -57.39 -34.0 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 173.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -35.62 -53.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 170.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -85.39 -41.15 15.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.229 -173.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.414 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.02 -45.37 95.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.08 -39.17 89.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.211 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -57.57 -47.99 80.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.206 174.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 48.8 mtm -63.14 -35.52 80.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.214 -176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 93.8 mt -73.54 -33.96 64.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.1 p -76.94 -18.79 58.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.79 -37.2 70.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 166.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -67.99 138.16 55.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 165.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -116.69 39.73 3.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 -173.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' HIS . 36.4 p-80 -136.13 115.89 13.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.227 168.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -52.49 136.22 32.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.196 172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 117.46 -25.08 8.81 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.8 145.22 25.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.823 0.344 . . . . 0.0 111.198 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -148.48 159.01 44.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.174 -174.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.0 tt -133.8 128.2 34.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.7 mt -103.62 127.43 57.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 -178.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 33.1 ptt85 -143.05 163.59 32.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -174.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -77.07 137.51 38.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.3 t -85.33 118.29 24.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.207 -176.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.28 -32.6 74.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.2 p -78.43 -10.0 59.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 -177.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.4 71.97 6.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.212 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -53.98 139.6 70.08 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.675 1.583 . . . . 0.0 111.245 -176.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.25 -31.13 8.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -173.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -96.51 156.21 16.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.235 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -110.98 156.76 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -172.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 70.7 m -113.68 154.37 27.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 163.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 tt -122.89 112.53 17.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 69.0 m -101.67 109.55 21.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.225 -177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 45' ' ' VAL . 8.5 p -110.33 122.0 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.167 -169.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -88.65 84.13 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.259 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -111.13 136.63 49.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 175.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 73.47 34.86 56.75 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.7 t30 57.62 31.59 20.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.787 0.327 . . . . 0.0 111.164 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -157.19 160.53 38.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.187 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 100.0 t -109.35 121.63 62.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.245 -169.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -105.7 149.83 26.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.248 174.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -106.36 122.93 47.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' HG11 ' A' ' 45' ' ' VAL . 9.7 m-30 -106.74 154.83 20.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.28 171.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 39.4 pttt -93.88 133.2 37.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 172.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.2 t -119.45 103.04 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 173.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 56.5 mt -109.85 145.07 37.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.197 -165.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -76.2 142.03 41.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.253 175.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.528 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 49.6 p30 -91.42 -169.02 2.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 170.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.56 -15.54 64.14 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.42 -10.99 53.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.227 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.12 16.47 71.96 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -105.52 145.4 30.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 111.189 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -87.22 141.53 28.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -165.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -144.95 159.28 43.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 167.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 67' ' ' TRP . 3.6 tt -102.38 -70.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.196 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.426 ' CD1' HD22 ' A' ' 66' ' ' LEU . 19.3 m95 -102.14 -87.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.233 178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.9 m -135.32 -35.13 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -175.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.6 137.83 23.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 172.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.528 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -132.53 127.43 35.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.172 -176.066 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -119.08 179.72 4.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 168.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -63.0 -22.13 66.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.171 -174.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.3 p -150.76 157.87 43.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.203 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.4 tp -52.05 -42.07 62.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.159 170.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -57.59 -36.92 72.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -72.67 -37.93 67.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.207 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.717 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -83.05 -21.13 33.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.173 -170.265 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.5 m -82.41 -20.79 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 172.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -72.17 -39.55 68.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.231 166.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -58.1 -49.22 77.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 167.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -77.6 4.27 11.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.155 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -88.12 -50.46 6.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.149 167.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.9 m -71.55 -34.92 70.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.197 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 97.5 m -119.83 141.01 49.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 85.1 p -59.57 152.77 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.231 -178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.8 m -76.03 -12.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.227 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 23.8 t -153.2 152.1 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.191 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -73.5 -22.89 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.202 175.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -110.03 -32.18 7.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -173.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -109.45 94.0 4.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -76.15 68.72 2.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.248 -168.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.403 ' CG2' HG21 ' A' ' 45' ' ' VAL . 59.7 mt -102.84 137.97 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.15 176.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -118.74 151.58 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 176.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 31.4 mt -103.02 89.9 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.181 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -110.99 143.72 41.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.25 -168.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.177 -179.536 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.757 0.313 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -75.79 147.46 81.1 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 178.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -74.9 171.93 17.33 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 C-N-CA 121.675 1.584 . . . . 0.0 111.081 177.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -68.43 134.57 90.9 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -79.58 -9.06 14.83 Favored 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 121.662 1.575 . . . . 0.0 111.176 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -59.42 137.89 57.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 -174.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 53.75 -99.28 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 -176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -130.15 12.63 5.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -173.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.37 -125.77 38.92 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.64 55.81 3.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 111.231 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 8.9 tt -69.99 139.31 87.85 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -68.09 146.87 72.03 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.785 1.656 . . . . 0.0 111.132 170.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -55.98 -34.56 65.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.23 -63.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.2 171.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.4 tptt -70.56 -39.11 74.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 -169.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.54 -38.63 90.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -174.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -73.28 -40.9 64.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 177.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.76 -46.09 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.4 mtm -60.55 -41.9 95.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.242 178.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.422 HD13 ' HB2' ' A' ' 46' ' ' LYS . 89.4 mt -65.85 -34.98 79.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.187 179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 92.8 p -78.75 -12.91 60.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -89.93 -33.02 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 165.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -64.28 -39.13 93.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.25 172.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 57.2 mmm-85 50.01 49.96 19.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.158 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -128.33 99.09 5.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -178.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.437 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 94.7 m-20 -60.01 132.61 54.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.087 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.09 -34.37 5.84 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.45 151.35 47.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.726 0.298 . . . . 0.0 111.181 -175.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -142.73 165.02 28.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -174.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.6 tt -130.33 120.53 24.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.209 170.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 84.8 mt -97.88 131.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 31.0 ptt-85 -145.05 164.09 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 -173.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -93.73 135.14 35.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 174.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 t -70.38 142.25 52.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -88.62 -8.05 55.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 171.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -100.29 -28.8 12.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -133.22 76.88 68.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.24 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -53.25 139.44 63.47 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.684 1.589 . . . . 0.0 111.219 -178.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.28 -26.32 24.17 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -98.89 151.96 20.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 111.188 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -109.52 159.58 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.214 -176.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.7 m -118.81 153.07 35.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.19 164.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -122.5 110.01 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.228 174.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.3 m -99.71 110.07 22.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.183 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -103.11 123.43 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.223 -171.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 26' ' ' ASP . 11.8 tptt -83.26 94.85 7.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.273 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -129.82 130.15 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.244 172.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 50' ' ' ASP . . . 78.57 27.1 57.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 m-20 61.49 7.1 1.67 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' H ' ' C ' ' A' ' 48' ' ' GLY . 21.9 t0 -112.08 170.04 8.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.29 167.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.8 t -119.0 128.63 75.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -110.01 144.65 38.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.254 173.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.594 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 1.8 t-80 -102.92 120.21 40.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -173.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -105.37 149.33 26.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 173.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -93.91 119.97 33.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.21 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.43 106.46 20.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 37.1 mt -110.38 144.39 39.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.185 -158.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -65.77 139.46 58.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 176.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.79 173.56 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 171.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.71 -16.88 61.9 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.99 -11.28 59.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.327 . . . . 0.0 111.278 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.96 88.77 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.0 mttm -82.93 168.86 16.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.849 0.357 . . . . 0.0 111.229 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.21 143.66 38.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.198 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -144.74 169.8 17.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 172.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.51 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.3 tt -133.84 -63.95 0.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.181 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -88.4 172.97 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.235 -178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.2 m -63.25 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 162.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 75.4 t -79.52 123.74 36.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.163 163.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -139.27 141.0 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.1 -167.47 1.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 173.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -58.0 -25.63 61.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 -170.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 79.6 p -156.47 163.49 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 -178.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.9 tp -51.69 -44.04 62.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 170.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.91 -36.2 76.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.226 -178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -70.44 -44.36 67.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.231 -177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.6 pp -75.5 -30.15 59.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 -169.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -74.08 -26.7 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.258 175.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.92 -41.66 64.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.241 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -56.01 -49.15 74.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.177 168.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -84.11 10.72 9.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.7 ttp85 -87.79 -45.64 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 165.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.3 p -81.8 -21.2 37.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 -179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.8 m -132.39 142.35 49.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.238 -178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.9 p -62.49 156.62 22.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 22.6 m -77.42 -13.93 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.148 177.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 28.9 t -160.99 155.55 23.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.223 -175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.37 -25.7 62.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -113.87 -40.42 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.223 -174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -96.19 70.2 2.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -82.08 66.81 7.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.247 -156.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.536 ' CG2' HG21 ' A' ' 45' ' ' VAL . 7.9 mm -79.35 141.7 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.249 171.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -116.27 148.81 40.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 165.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.0 mt -110.91 105.46 14.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 175.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -112.51 152.13 29.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -174.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 176.533 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.848 0.356 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -65.54 129.25 94.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.203 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -76.22 168.0 24.8 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.705 1.603 . . . . 0.0 111.171 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 67.6 m-70 -68.74 137.96 90.54 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -75.49 -11.72 20.6 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.7 1.6 . . . . 0.0 111.191 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -60.19 138.94 57.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 -177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 52.37 -99.15 0.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.246 -174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -133.1 9.68 4.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.223 -171.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.44 -128.02 45.26 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -83.16 60.69 5.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.755 0.312 . . . . 0.0 111.217 178.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -69.89 139.52 88.24 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.211 167.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.6 Cg_endo -67.13 146.05 75.18 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.622 1.548 . . . . 0.0 111.253 170.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.85 -34.39 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 172.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.59 -65.04 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.193 171.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.9 tptt -70.19 -38.85 75.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.225 -168.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.428 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.51 -40.77 95.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.237 -174.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -72.33 -40.23 67.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -56.88 -46.9 81.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 56.6 mtm -61.21 -44.12 97.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.5 mt -62.31 -36.47 82.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 90.3 p -75.63 -3.34 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -102.02 -24.25 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.212 170.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -70.6 -40.52 73.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 172.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 60.07 26.87 16.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.194 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -104.15 94.8 5.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.52 128.75 35.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.249 174.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.12 -23.81 29.64 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -65.45 162.3 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.165 178.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -155.46 156.94 36.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 16' ' ' ALA . 5.2 tt -123.71 118.71 27.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 174.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.4 mt -99.1 130.05 48.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.232 -179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -143.55 164.63 29.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 -170.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -91.7 135.03 34.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.181 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.9 t -68.46 141.62 55.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -85.86 -31.69 22.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -80.58 -22.25 40.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.79 75.02 43.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 175.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_exo -53.94 139.81 69.59 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.697 1.598 . . . . 0.0 111.243 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.99 -22.02 43.04 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -102.26 153.8 19.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.83 0.348 . . . . 0.0 111.238 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-30 -112.58 159.81 18.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.172 -172.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.7 m -124.5 153.2 42.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 166.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.97 111.25 16.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.139 173.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -99.73 111.57 23.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.545 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -102.31 125.06 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 -167.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 28.3 tptp -77.55 85.31 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.26 175.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.46 ' CD2' HG12 ' A' ' 92' ' ' ILE . 8.3 t80 -112.62 120.39 41.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -178.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 64.47 -136.59 39.4 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -169.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -101.54 21.38 14.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -179.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -142.04 176.0 9.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.248 176.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 41.6 t -124.59 125.37 69.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -97.98 167.75 10.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 174.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.682 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 0.9 OUTLIER -129.51 115.15 17.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.173 -172.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -96.77 141.5 29.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.186 175.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -81.64 120.66 25.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 176.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 43.2 t -112.0 92.3 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.216 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.9 mt -107.21 150.07 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.224 -158.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -76.88 136.57 38.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.221 168.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 p30 -90.77 -168.58 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.232 171.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -65.34 -16.78 63.16 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -175.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.09 -12.19 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.273 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.84 13.93 76.62 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 -165.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 mttm -97.38 143.68 27.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.79 0.328 . . . . 0.0 111.26 -176.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -86.58 136.98 32.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.18 -170.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -140.87 160.06 40.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 171.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 7.2 tt -122.08 120.0 33.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.181 -178.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.446 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 27.4 m95 55.23 -86.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -169.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.36 -10.65 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.158 -170.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.03 139.51 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.243 -168.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -149.53 139.87 22.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -129.87 -164.32 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.195 170.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -55.45 -28.06 52.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.13 153.58 29.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.208 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' C ' HD23 ' A' ' 74' ' ' LEU . 6.9 tt -57.53 -28.25 63.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.199 173.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -59.44 -19.65 49.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.198 177.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -95.23 -31.61 13.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.275 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.807 ' C ' HD12 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -79.79 -25.04 41.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.199 -175.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.0 m -75.36 -27.07 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -72.62 -41.06 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 170.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -56.01 -48.41 75.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 167.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -82.29 8.86 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.22 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -94.22 -50.02 5.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.4 m -69.57 -37.55 77.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.19 175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 94.2 m -117.99 139.32 51.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.1 p -59.97 153.22 21.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 -178.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.56 -28.37 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 29.1 t -157.26 158.12 35.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.204 173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.12 -26.6 64.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 175.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -99.7 0.08 41.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.191 -177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -139.12 101.36 4.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -80.44 67.89 6.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.225 -173.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.545 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.4 mt -117.67 125.35 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 -174.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -122.83 109.95 14.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.185 -172.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.4 mt -75.65 81.26 2.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -170.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -77.99 148.11 34.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.205 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.199 -1.559 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 177.172 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.785 0.326 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -66.09 144.47 98.79 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.62 160.34 41.38 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.689 1.592 . . . . 0.0 111.243 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -44.36 116.78 2.68 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.6 54.72 3.21 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.728 1.619 . . . . 0.0 111.162 -168.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -140.34 149.43 42.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.217 172.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 48.99 -105.76 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -114.21 -2.14 13.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -172.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.48 -118.91 12.67 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -81.95 65.78 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.199 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CG1' ' HD2' ' A' ' 12' ' ' PRO . 7.9 tt -70.05 139.92 88.09 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 172.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 84.0 Cg_endo -67.67 148.4 77.75 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.701 1.601 . . . . 0.0 111.173 169.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.1 tmm_? -56.01 -35.45 66.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.195 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.0 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 173.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -71.49 -38.33 71.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 -168.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.97 95.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.237 -176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -70.7 -40.57 72.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -57.44 -47.14 82.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.0 mtm -60.46 -45.52 93.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 90.8 mt -62.82 -36.95 84.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.21 -178.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 93.4 p -71.82 -7.44 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.221 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -99.54 -24.95 14.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.215 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.07 -41.32 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.213 175.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 60.1 26.51 15.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -102.95 95.15 5.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -56.38 128.3 35.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.82 -29.66 11.39 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.54 152.22 30.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -146.48 155.95 42.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.149 -171.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.46 113.62 18.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.239 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 71.5 mt -94.01 128.35 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.408 ' CB ' HG22 ' A' ' 11' ' ' ILE . 40.7 ptt85 -141.42 156.58 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 -169.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -88.14 136.32 33.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.238 175.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.1 t -71.24 141.76 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.188 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -82.56 -33.37 28.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.5 p -79.59 -22.41 43.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.258 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.63 75.5 43.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -54.08 139.78 70.92 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.788 1.659 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.54 -20.55 50.26 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -106.06 155.48 19.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.755 0.312 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -120.01 154.53 34.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 m -113.85 156.9 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 164.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tt -123.49 111.08 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.228 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 61.2 m -101.44 109.51 21.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' CG2' ' A' ' 92' ' ' ILE . 6.2 p -107.01 125.39 63.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.264 -167.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' ' 20' ' ' LEU . 24.5 tptp -82.64 86.62 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.211 179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -102.24 126.71 49.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 173.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.99 -131.78 45.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -171.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -98.56 2.99 47.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.184 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -113.77 171.1 7.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 -176.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.19 123.77 68.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.188 172.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -96.77 148.5 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 176.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.482 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 3.4 t-80 -110.04 118.26 35.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -175.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -103.44 154.08 19.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 171.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.4 pttt -100.58 126.15 47.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 178.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.71 95.06 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.181 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.9 mt -110.02 151.04 27.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.22 -159.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -78.48 137.19 37.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.21 167.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.0 p30 -90.93 -168.96 2.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.219 170.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -66.28 -15.77 63.84 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -175.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.32 -12.56 49.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.686 0.279 . . . . 0.0 111.139 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.23 12.87 78.15 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -165.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -94.95 141.29 28.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -89.01 135.59 33.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -170.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -141.21 161.92 36.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.232 174.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' ' CD1' ' A' ' 67' ' ' TRP . 6.7 tt -120.82 121.14 37.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 -179.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.472 ' CD1' ' CD2' ' A' ' 66' ' ' LEU . 24.4 m95 56.19 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.199 -169.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.8 m -135.7 -6.78 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.222 -168.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -117.23 135.59 57.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -167.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -133.53 129.93 37.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.196 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -114.74 -173.51 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 170.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -55.74 -26.28 44.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.218 -178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.0 t -155.22 151.0 27.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.289 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.6 tp -49.66 -33.36 15.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 167.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -74.37 -7.85 54.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.16 -176.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -101.74 -43.87 5.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 178.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' C ' HD12 ' A' ' 77' ' ' LEU . 3.3 pp -67.44 -21.02 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -175.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.8 m -74.45 -26.31 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 170.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.02 -38.47 64.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 170.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -55.86 -48.55 75.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 167.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -78.13 1.67 20.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.176 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.6 ttp85 -88.16 -47.15 8.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.179 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.4 p -83.03 -20.96 34.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.141 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 95.4 m -130.77 140.84 50.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.0 p -61.38 150.12 36.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.184 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.72 -23.74 31.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.266 177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 14.5 t -149.42 153.73 37.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -172.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -69.84 -25.26 63.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 174.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -106.96 -34.26 7.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -174.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -107.83 92.58 4.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -77.64 66.52 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -166.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.407 ' CG2' HG21 ' A' ' 45' ' ' VAL . 53.4 mt -99.87 137.4 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.168 179.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -114.77 154.11 29.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.209 174.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.7 mt -106.44 105.59 15.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.216 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 96' ' ' ASP . 75.2 mtt85 -112.63 160.03 18.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 -173.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 95' ' ' ARG . 27.0 t0 . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 CA--C 1.522 -0.106 0 CA-C-O 120.874 0.369 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.03 129.52 93.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.203 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -76.41 169.45 21.9 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.678 1.585 . . . . 0.0 111.226 -178.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 m-70 -70.32 137.03 86.45 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.212 -177.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -75.66 -11.46 20.3 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.789 1.659 . . . . 0.0 111.227 176.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -59.92 136.09 57.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 51.98 -98.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -133.42 11.08 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -172.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.46 -131.97 51.25 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -80.8 62.36 4.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.799 0.333 . . . . 0.0 111.258 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.406 HD11 ' HB2' ' A' ' 15' ' ' LYS . 9.3 tt -75.73 137.08 70.26 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.222 174.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -70.64 147.77 57.95 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.686 1.591 . . . . 0.0 111.196 169.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.3 mtp180 -61.24 -20.79 63.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.239 173.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -47.82 -35.02 9.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 172.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.406 ' HB2' HD11 ' A' ' 11' ' ' ILE . 23.7 mmmt -90.09 -55.21 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.199 173.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.487 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -60.87 -26.96 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 -163.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -88.59 -33.88 17.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -60.62 -37.04 80.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.234 172.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 17.3 mtt -63.05 -43.23 99.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.186 -178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 mt -85.24 -33.98 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.198 -168.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 p -70.41 -15.92 62.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.224 176.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -96.76 -30.91 12.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.86 -38.47 86.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.207 177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 59.93 30.59 20.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.151 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.511 ' CD2' ' C ' ' A' ' 25' ' ' HIS . 3.3 t-160 -100.67 96.78 7.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.613 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 35.0 p30 -64.12 123.25 18.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -173.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.04 -19.58 43.19 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.68 150.41 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 111.184 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -144.29 160.69 40.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 16' ' ' ALA . 6.3 tt -130.63 119.36 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.171 171.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.88 130.18 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.8 ptt85 -145.41 168.26 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.216 -170.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -92.11 139.13 30.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.182 177.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.3 t -73.26 140.48 46.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.236 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -87.72 -10.49 50.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 172.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 100.0 p -97.82 -23.74 15.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.92 77.54 37.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.196 174.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -53.47 138.0 65.64 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.647 1.564 . . . . 0.0 111.202 -177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.63 -25.58 27.41 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 -177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -97.71 154.28 17.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.733 0.301 . . . . 0.0 111.243 176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -109.88 159.99 16.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.285 -174.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 73.2 m -120.41 154.89 34.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 164.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 tt -121.28 109.97 15.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.6 m -97.81 109.65 22.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.549 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.0 p -107.03 126.07 63.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.186 -171.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 46' ' ' LYS . 16.6 tptp -89.08 90.83 8.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.26 175.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -113.85 136.12 53.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.173 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 63.68 -128.13 37.57 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -166.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -105.26 2.25 28.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.777 0.322 . . . . 0.0 111.153 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -114.05 169.57 8.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.248 -173.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 87.8 t -118.21 126.12 74.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 168.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' HB3' HE21 ' A' ' 52' ' ' GLN . 24.3 mt-30 -101.55 149.45 24.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 176.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.557 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.3 t-80 -107.49 119.87 40.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.228 -176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -106.22 147.56 28.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.256 171.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -93.26 119.98 33.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.172 178.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -105.53 105.86 19.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.8 mt -111.67 147.66 35.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.209 -159.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -74.36 136.86 42.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.24 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 43.2 p30 -96.37 -173.0 2.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.212 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.28 -2.61 79.73 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -172.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -92.28 -12.84 31.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.807 0.337 . . . . 0.0 111.222 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.97 10.59 71.74 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -166.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -99.32 162.08 13.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.261 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -142.48 168.2 20.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.157 172.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.55 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.5 tt -136.83 -60.74 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -179.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.462 ' CD2' HD22 ' A' ' 66' ' ' LEU . 71.3 m95 -92.18 174.65 7.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.182 -178.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.1 m -63.53 -23.78 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.234 165.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.1 t -72.98 130.38 35.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.252 165.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -134.53 132.53 39.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -173.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -123.75 -171.55 2.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.182 169.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.32 -21.14 64.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -171.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 85.4 p -153.23 159.76 42.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.149 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.4 tp -51.13 -42.54 60.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 170.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.66 -39.96 90.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.213 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -67.26 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.211 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -75.88 -30.11 58.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 -167.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.1 m -75.71 -26.1 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 175.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.63 -42.7 64.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.191 170.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -53.65 -46.45 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 169.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -90.21 20.88 4.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 70.7 ttp85 -92.22 -48.26 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.154 163.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -79.2 -18.59 52.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 179.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 91.4 m -131.55 146.58 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 83.2 p -55.82 158.58 3.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.219 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.5 m -72.08 -26.01 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.187 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 33.4 t -163.9 -174.22 3.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 -174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -103.81 -9.47 19.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.73 4.32 40.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.211 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -171.79 108.48 0.25 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -84.62 62.24 7.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.218 -169.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.549 ' CG2' HG21 ' A' ' 45' ' ' VAL . 5.1 mm -84.66 142.65 13.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 174.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -121.76 141.72 50.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 168.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.8 mt -107.65 96.18 6.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.139 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -112.01 150.68 30.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -171.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 . . . . . 0 C--O 1.199 -1.588 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.312 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.6 mmm . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -74.54 145.54 82.38 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -75.47 175.6 11.06 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.64 1.56 . . . . 0.0 111.225 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -65.6 135.89 95.85 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.194 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -76.32 -9.94 19.03 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.714 1.609 . . . . 0.0 111.141 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -60.89 138.83 58.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 49.85 -104.16 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.236 -175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -128.34 15.01 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.201 -172.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.82 -128.47 43.15 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -83.19 59.61 5.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.705 0.288 . . . . 0.0 111.203 177.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.426 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.5 tt -70.08 139.74 87.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 168.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.406 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 91.3 Cg_endo -67.62 146.56 73.9 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.623 1.549 . . . . 0.0 111.27 170.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -56.06 -35.24 66.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.165 172.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -39.71 -63.6 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.166 171.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.8 tptt -71.44 -38.81 71.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -168.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.83 97.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -174.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -72.52 -39.46 67.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.69 -45.72 85.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.279 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.426 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.11 -40.62 98.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 78.4 mt -64.26 -39.02 93.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.262 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 99.3 p -72.3 -24.27 61.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.41 -37.49 43.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.161 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.701 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.6 tp-100 -66.43 146.6 54.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.214 167.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -118.58 48.12 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.203 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -130.31 99.61 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.229 -171.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -56.73 137.54 54.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.179 174.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 93' ' ' PHE . . . 95.89 -22.17 40.87 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 179.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.08 151.15 46.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 111.155 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -144.37 162.75 35.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.246 -172.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.22 112.41 14.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 171.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.9 mt -89.63 132.74 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.183 177.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' HD2' ' O ' ' A' ' 11' ' ' ILE . 33.9 ptt-85 -145.34 159.73 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 -173.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -87.68 134.21 33.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.154 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 t -67.77 142.21 56.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.169 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -84.27 -33.45 24.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.6 p -79.51 -22.22 44.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.245 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -136.53 76.83 47.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_exo -53.86 139.68 68.85 Favored 'Trans proline' 0 C--N 1.328 -0.503 0 C-N-CA 121.596 1.531 . . . . 0.0 111.229 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.82 -22.29 41.33 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.18 159.7 15.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.803 0.335 . . . . 0.0 111.202 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -121.59 156.33 33.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -170.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.4 m -112.82 155.26 24.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 162.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tt -123.66 107.41 11.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -99.56 111.78 24.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG21 ' CG2' ' A' ' 92' ' ' ILE . 9.9 p -109.99 127.43 66.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -171.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.701 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 43.6 tttt -85.69 99.31 11.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 171.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -103.93 127.09 51.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.222 165.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.74 -122.28 27.39 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -166.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.3 5.74 18.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.184 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -112.65 156.95 21.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 48.2 t -112.35 131.97 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.232 175.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -110.0 142.54 41.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.56 ' HD1' ' C ' ' A' ' 53' ' ' HIS . 2.2 t-80 -103.41 119.42 38.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 -174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.431 ' HB3' HD21 ' A' ' 66' ' ' LEU . 8.8 m-30 -104.37 155.83 18.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 174.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.2 pttt -100.78 124.81 46.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.7 t -109.58 111.88 38.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.14 177.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.6 mt -118.41 150.93 38.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -164.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -86.8 141.54 28.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 176.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.2 p30 -93.41 -171.61 2.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 170.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.69 -5.88 75.49 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -173.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.87 -11.75 38.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 0.0 111.215 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 83.65 15.43 70.8 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -167.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -102.78 149.17 24.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -97.0 139.63 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -169.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -142.99 169.24 17.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.227 174.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.531 ' C ' HD23 ' A' ' 66' ' ' LEU . 5.0 tt -135.42 -64.19 0.65 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.172 -178.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -92.93 -96.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -138.9 -55.61 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.71 141.02 15.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.174 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 23.5 tptm -126.08 129.35 48.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -118.62 -174.03 2.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 173.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -72.03 -16.75 62.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 -173.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.1 t -156.27 150.78 25.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.232 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.2 tp -43.62 -40.28 4.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 167.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -65.25 -20.94 66.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -90.21 -41.63 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 -175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.447 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.5 pp -73.95 -29.36 61.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.206 -173.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.6 -25.65 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -74.18 -40.69 62.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 172.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -55.66 -47.52 76.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.177 167.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -85.5 12.4 8.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 178.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.6 ttp85 -89.79 -46.65 8.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 163.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 75.4 m -66.58 -39.5 88.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -120.07 136.89 54.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.22 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.0 t -55.1 149.54 12.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.6 m -69.13 -18.57 22.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 26.6 t -150.46 152.87 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.167 -171.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -82.09 -11.32 58.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 175.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -113.71 -31.78 6.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.222 -179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -109.6 94.06 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.242 178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 82.0 mm-40 -75.12 75.5 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 -169.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.449 ' CG2' HG21 ' A' ' 45' ' ' VAL . 46.8 mt -114.31 126.58 71.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.171 -178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.413 ' O ' ' CA ' ' A' ' 27' ' ' GLY . 13.3 m-85 -117.35 118.22 31.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -76.14 80.46 2.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.243 -172.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -90.03 156.66 18.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 -174.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 C--O 1.201 -1.481 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.227 176.551 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.2 mtp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.823 0.344 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.6 128.72 90.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 174.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.43 165.01 31.53 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.697 1.598 . . . . 0.0 111.189 -176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -69.96 137.76 87.47 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -178.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -74.44 -11.61 22.6 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 121.741 1.628 . . . . 0.0 111.238 173.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -60.87 140.04 57.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 -179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 51.11 -99.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.242 -175.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -133.78 10.86 3.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.182 -170.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.24 -127.56 43.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -83.52 59.85 5.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.757 0.313 . . . . 0.0 111.194 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.432 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.6 tt -70.0 139.83 88.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.155 168.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 97.0 Cg_endo -67.28 146.09 74.35 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 170.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -55.85 -35.28 66.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.217 172.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -38.99 -64.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.178 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -71.02 -38.62 72.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.221 -168.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.433 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -61.79 -40.58 95.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.169 -174.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -73.71 -39.96 63.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.223 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -56.58 -46.99 80.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.432 ' HE2' HD11 ' A' ' 11' ' ' ILE . 57.9 mtm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 46' ' ' LYS . 97.4 mt -64.72 -39.78 94.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.176 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -72.57 -12.27 61.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.26 -25.77 16.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 168.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -67.99 -41.74 81.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 59.92 32.44 21.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 178.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.92 94.69 5.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.25 177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -54.9 129.73 38.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.26 175.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.67 -28.38 15.16 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 46' ' ' LYS . . . -61.2 157.05 16.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.802 0.334 . . . . 0.0 111.157 -178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -147.22 159.07 44.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.203 -176.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 16' ' ' ALA . 3.7 tt -127.09 111.95 14.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.176 171.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.48 129.35 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.0 ptt-85 -142.3 162.43 35.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 -173.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -89.99 135.24 33.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.207 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.7 t -68.33 140.85 55.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -84.62 -30.62 24.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.178 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 92.5 p -82.51 -22.21 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -137.33 74.88 47.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.163 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -53.77 140.31 67.37 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.741 1.627 . . . . 0.0 111.225 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 99.5 -23.25 36.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -100.08 155.08 17.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 111.263 177.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -109.93 156.42 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.218 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.4 m -117.43 150.41 38.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 161.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.96 110.42 16.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.226 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.6 m -101.43 110.31 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.23 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.567 HG21 ' CG2' ' A' ' 92' ' ' ILE . 7.6 p -102.79 124.39 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 -169.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 28' ' ' ALA . 28.2 tptp -77.95 86.13 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.246 175.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CD2' HG12 ' A' ' 92' ' ' ILE . 7.4 t80 -113.18 121.16 43.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.98 -132.49 43.16 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 -167.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -101.7 10.85 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.866 0.365 . . . . 0.0 111.214 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -131.5 151.34 51.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.208 -176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 43.0 t -107.15 119.01 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.8 mm100 -92.49 151.81 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.205 177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -110.54 125.8 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' HB3' HD21 ' A' ' 66' ' ' LEU . 13.7 m-30 -110.86 144.44 39.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 175.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.0 pttt -84.14 116.76 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.209 178.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.12 107.28 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.232 176.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.5 mt -109.85 137.66 47.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.221 -163.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 54.1 ttp180 -86.29 135.89 33.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.594 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 40.7 p30 -95.47 -175.12 3.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 174.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -79.88 -0.94 86.59 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -172.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.28 -11.63 40.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.173 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.1 9.78 72.9 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -166.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -102.5 168.54 9.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 111.195 -179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -122.4 147.44 46.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.19 168.29 20.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 171.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.512 ' C ' HD23 ' A' ' 66' ' ' LEU . 4.6 tt -135.54 -66.91 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.208 -175.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.439 ' CD2' HD22 ' A' ' 66' ' ' LEU . 96.8 m95 -91.3 -96.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -167.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.27 -59.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 -178.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.19 138.27 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 162.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 86.9 tttt -131.88 142.41 49.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.237 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -116.03 -171.68 2.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.196 172.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -64.91 -23.32 67.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.228 -168.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 81.3 p -152.33 161.46 42.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.17 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 64.8 tp -50.36 -42.77 53.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 169.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -59.12 -36.81 75.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.268 -176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -73.24 -42.04 63.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.548 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.7 pp -75.58 -29.21 59.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 -171.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.0 m -77.1 -26.0 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.244 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -71.46 -40.22 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 169.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -57.19 -49.33 76.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.233 169.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -85.24 16.63 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -93.0 -48.87 6.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 162.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.1 p -73.84 -20.65 60.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.222 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 89.3 m -131.73 144.56 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.215 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 84.5 p -58.46 159.13 6.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.253 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.5 m -68.87 -27.74 36.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.239 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 31.0 t -159.43 157.82 30.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.185 174.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.65 -26.62 65.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 173.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -97.3 -0.42 46.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -141.29 98.11 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.18 -178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -79.03 68.27 4.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.227 -175.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.567 ' CG2' HG21 ' A' ' 45' ' ' VAL . 4.8 mt -115.39 122.43 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -119.73 110.34 16.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.231 -173.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 45.8 mt -74.58 79.16 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.188 -169.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -82.14 159.85 23.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 175.137 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.769 0.319 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.37 129.25 93.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -76.61 170.83 19.15 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.666 1.578 . . . . 0.0 111.174 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -68.89 136.05 89.85 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -75.67 -10.26 20.08 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.699 1.599 . . . . 0.0 111.216 175.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -61.7 140.22 58.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 49.58 -104.41 0.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.214 -177.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -127.98 15.36 6.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.276 -172.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.64 -129.23 44.11 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 -176.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -82.41 60.11 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 111.234 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 ' HE2' ' A' ' 19' ' ' MET . 9.1 tt -70.04 139.74 88.0 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 168.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.409 ' HD2' ' CG1' ' A' ' 11' ' ' ILE . 96.6 Cg_endo -67.29 146.06 74.24 Favored 'Trans proline' 0 N--CA 1.457 -0.642 0 C-N-CA 121.697 1.598 . . . . 0.0 111.209 170.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 tmm_? -55.82 -34.8 65.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 172.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.07 -64.32 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 171.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.7 tptt -70.8 -38.49 73.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.234 -168.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' HA ' HD13 ' A' ' 30' ' ' LEU . . . -62.28 -40.29 95.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.178 -174.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -71.87 -40.26 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.94 -46.12 82.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.282 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.436 ' HE2' HD11 ' A' ' 11' ' ' ILE . 59.4 mtm -63.62 -39.35 94.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.253 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.77 -35.89 81.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.7 p -78.22 -18.56 55.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -82.14 -34.49 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.245 167.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.668 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 4.5 tp-100 -67.84 147.1 53.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 165.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -119.02 64.78 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -152.51 87.08 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.229 -168.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -58.18 132.72 54.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.1 -32.06 7.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -170.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.35 150.99 45.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.798 0.332 . . . . 0.0 111.169 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.78 161.47 41.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -171.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' A' ' 16' ' ' ALA . 4.7 tt -128.62 116.29 19.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 175.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 80.5 mt -95.94 131.13 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -143.94 165.3 28.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.175 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -89.31 136.41 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 175.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -71.3 139.35 49.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.187 175.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -83.53 -32.49 25.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.195 173.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.6 m -71.5 -35.03 70.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.3 78.93 73.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -54.34 140.52 73.06 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.699 1.599 . . . . 0.0 111.232 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.93 -23.41 36.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -99.07 155.77 17.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.796 0.331 . . . . 0.0 111.216 177.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.6 m-30 -109.72 155.73 21.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.244 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -120.09 152.83 37.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.186 163.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tt -124.43 109.99 13.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 177.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 12.7 m -98.16 114.6 26.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.511 HG21 ' CG2' ' A' ' 92' ' ' ILE . 10.6 p -110.23 126.32 67.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.274 -174.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.668 ' NZ ' ' O ' ' A' ' 23' ' ' GLN . 48.3 tttt -90.57 101.71 14.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.239 171.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -129.93 120.03 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.184 166.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.93 32.37 7.99 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 40.8 t30 59.43 26.1 14.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.824 0.345 . . . . 0.0 111.173 -178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -156.18 158.56 37.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 171.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 52.8 t -108.22 127.72 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.21 -166.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB3' HE21 ' A' ' 52' ' ' GLN . 18.5 mt-30 -101.46 164.41 11.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.224 166.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -121.78 130.39 53.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.162 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -108.42 145.3 34.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.217 170.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -83.39 122.26 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.58 109.81 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.93 142.82 48.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -160.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -74.65 137.26 42.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.484 ' OD2' ' NZ ' ' A' ' 70' ' ' LYS . 46.1 p30 -94.65 -171.15 2.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.271 170.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.68 -5.9 75.53 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.23 -9.49 45.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.171 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.11 15.98 73.25 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -168.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -106.81 151.84 24.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.798 0.332 . . . . 0.0 111.194 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -92.65 143.06 26.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 -172.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -143.82 171.87 13.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -128.8 125.96 38.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.203 -171.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 17.4 m95 42.98 -109.35 0.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.1 m -121.78 17.98 5.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -171.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 p -118.75 134.04 63.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.216 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.484 ' NZ ' ' OD2' ' A' ' 59' ' ' ASP . 0.1 OUTLIER -131.87 128.26 38.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -173.72 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -124.74 -173.75 2.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 164.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.0 m-80 -60.83 -23.15 64.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.202 -173.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 89.6 p -157.28 160.76 38.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.3 tp -52.83 -42.57 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 168.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -59.58 -34.85 73.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -75.12 -44.04 49.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.229 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' C ' HD12 ' A' ' 77' ' ' LEU . 2.0 pp -73.3 -26.83 61.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 -171.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 32.7 m -78.2 -27.97 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.213 173.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -69.38 -38.42 78.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 169.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -56.42 -47.92 78.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.22 166.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.3 m170 -72.06 -6.45 42.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.189 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -85.44 -46.98 10.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.264 172.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 81.8 p -81.02 -20.27 42.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 93.4 m -135.97 144.2 45.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.4 p -59.58 151.29 24.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.228 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.3 t -70.84 -41.03 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.185 -176.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 16.3 t -150.26 152.37 34.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.201 -169.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -77.77 -16.09 58.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.198 176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -110.67 -31.23 7.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -111.31 102.29 10.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -73.85 75.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.192 -170.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.511 ' CG2' HG21 ' A' ' 45' ' ' VAL . 9.2 mm -113.48 146.05 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -121.26 152.01 39.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.243 159.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.68 102.33 11.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.183 170.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -115.91 152.83 32.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 . . . . . 0 C--O 1.2 -1.503 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -179.645 . . . . . . . . 0 0 . 1 stop_ save_