data_2n4a_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n4a _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -86.97 119.9 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -108.38 133.39 53.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.5 m -114.91 132.48 56.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 m -131.28 147.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -140.28 145.09 36.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -168.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -142.34 143.78 32.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -117.13 124.86 50.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.62 132.65 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.04 70.15 10.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.76 35.06 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 111.125 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.73 144.96 51.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' HG22 ' A' ' 99' ' ' VAL . 68.1 t -56.86 -47.3 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 -177.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.11 95.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.12 -42.26 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -60.02 -43.75 95.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -62.08 -47.38 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.62 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.427 ' HD2' ' HG1' ' A' ' 21' ' ' THR . 73.9 t80 -65.31 -50.21 66.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.427 ' HG1' ' HD2' ' A' ' 20' ' ' TYR . 34.7 m -137.86 74.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -129.96 130.99 23.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.582 0.706 . . . . 0.0 111.111 158.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.409 -176.174 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.3 p -135.27 164.77 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 168.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.8 132.12 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.84 141.18 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.2 m -129.26 126.9 40.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 170.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.03 125.1 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -171.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -107.2 100.64 10.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -84.54 95.46 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -172.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -167.47 157.54 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.89 112.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.8 -5.07 69.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.22 147.98 19.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.14 156.29 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.88 154.98 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.4 t -150.68 140.78 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -137.51 121.65 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -108.78 129.89 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 80.1 mtp -119.75 138.03 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -129.68 152.96 48.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.29 150.61 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.74 -36.13 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -89.11 -0.63 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.68 77.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -83.59 -21.35 32.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -156.57 163.48 39.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.64 44.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -146.14 154.97 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -118.5 121.65 40.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -108.81 123.84 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 148.39 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.92 175.09 35.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -130.07 138.19 50.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -81.62 136.29 35.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -111.6 -23.43 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.63 133.28 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -139.64 124.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.99 100.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 50.38 36.36 12.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 165.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 58.47 22.15 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -121.4 -33.91 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -128.95 117.77 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.2 mt -136.66 111.1 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -173.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.95 139.24 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -150.02 165.17 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.76 135.85 53.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -124.04 95.67 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.13 -119.24 13.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -91.14 1.94 56.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 77.0 mtm180 -112.92 166.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -175.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.3 p -131.29 158.92 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.78 151.41 35.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -133.84 129.9 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.92 131.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -125.27 143.64 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -115.49 127.25 55.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.0 tp -117.98 129.39 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -86.37 117.76 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -112.79 156.24 42.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.715 . . . . 0.0 111.102 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.6 -26.7 69.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -91.94 -27.21 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.04 -169.95 42.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 13' ' ' VAL . 95.2 t -106.26 123.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 111.095 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.4 m -104.0 129.92 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.195 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.29 122.26 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.2 128.89 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.94 125.56 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t -117.42 124.41 48.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -141.18 156.42 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.425 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.0 t -80.65 136.88 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.33 147.03 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 15.7 tp10 -89.68 129.53 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -65.15 -22.26 66.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 97.6 mt-10 -79.8 -16.0 56.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.17 146.13 52.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.758 0.79 . . . . 0.0 110.9 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.08 142.91 85.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.4 -43.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.29 -42.2 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.04 -38.23 87.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -65.51 -43.87 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.08 -46.61 88.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.84 -42.24 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.51 94.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.696 0.284 . . . . 0.0 110.907 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.15 -39.17 91.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.28 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.76 -47.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.23 -36.72 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.38 -39.95 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.1 -42.15 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.43 -46.22 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.27 -36.08 82.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.61 -46.12 89.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.82 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.7 -39.02 67.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -72.16 -16.54 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -92.9 -3.66 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.7 mt -101.96 -37.11 8.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.269 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -85.24 118.36 24.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -103.46 127.7 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.6 m -119.37 133.82 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 120' ' ' TRP . 30.5 m -132.75 151.42 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 175.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -143.44 143.73 31.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -167.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 151.18 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -125.28 130.1 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.74 142.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.25 70.02 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.08 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.2 154.18 36.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.15 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.14 144.38 58.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.29 -36.44 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.32 94.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.9 -42.19 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.55 -49.85 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.4 m0 -66.75 -44.08 82.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.09 -42.53 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.54 61.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -60.27 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -125.05 74.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.7 m -133.42 128.54 20.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.3 -177.956 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.879 0.371 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 p -138.08 160.33 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 166.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.28 19.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.87 145.23 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m -131.52 126.42 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.48 128.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -170.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.35 100.16 9.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 164.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -82.54 96.3 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -172.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -166.17 158.96 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.99 115.77 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.02 83.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.35 155.3 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.405 -174.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.27 151.27 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.105 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -142.97 154.97 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 171.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -150.29 142.9 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -138.74 126.29 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -111.05 129.8 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.778 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 79.8 mtp -117.76 136.01 53.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' OE2' ' HA3' ' A' ' 63' ' ' GLY . 44.4 mm-40 -130.07 153.3 48.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.03 149.45 48.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.87 -35.92 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p-10 -88.63 -1.01 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.12 20.73 78.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.45 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -81.48 -19.72 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptp -158.08 161.03 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA3' ' OE2' ' A' ' 56' ' ' GLU . . . -171.78 165.76 38.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.419 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.38 148.7 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -109.0 122.15 46.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -117.72 120.13 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.24 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.172 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 173.05 35.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.3 m -131.54 139.28 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.13 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -79.25 144.33 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -115.02 -23.91 8.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.2 136.38 9.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -141.91 124.85 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.64 101.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 50.61 33.87 8.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 75.9 m-20 56.78 21.63 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -118.04 -30.58 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.89 119.77 21.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.79 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.66 110.34 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -117.64 138.78 51.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 54.1 p90 -148.5 166.35 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -175.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.1 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -118.89 97.44 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.31 -121.34 20.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -97.06 20.33 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -132.32 172.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.8 p -133.68 158.4 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.4 ' HB1' ' CZ ' ' A' ' 81' ' ' TYR . . . -147.67 153.48 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -134.84 130.09 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.14 130.16 65.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -124.01 144.86 49.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -117.23 127.1 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.06 128.05 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.6 116.8 25.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -112.38 157.49 39.93 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.563 0.697 . . . . 0.0 111.094 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.8 Cg_endo -63.65 -27.53 69.02 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -92.25 -26.05 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.499 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.59 -169.97 42.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.9 t -109.17 125.6 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 0.0 111.092 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -102.56 130.5 49.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.74 122.27 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -117.99 128.02 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.96 124.8 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 t -126.91 129.99 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -141.43 159.65 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -171.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.71 132.28 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.11 142.68 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.8 tt0 -95.19 127.7 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -63.46 -19.13 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -170.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 73.8 mm-40 -77.43 -15.99 59.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.89 141.28 40.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.683 0.754 . . . . 0.0 110.891 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.11 139.51 80.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.71 -45.05 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -42.81 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.83 -35.83 79.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.2 -41.55 81.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.52 -47.34 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.44 -41.45 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.84 -47.6 81.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.411 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.4 m-90 -67.14 -37.57 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.897 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.06 -39.32 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.95 78.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.86 -45.1 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.55 -36.24 83.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.11 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.79 -42.0 95.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.07 -43.52 87.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -57.99 -45.37 86.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.23 -35.88 81.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -66.9 -41.96 86.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.72 -42.17 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.05 -34.21 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.9 p -77.8 -24.11 48.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.58 -4.61 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 tp -97.5 -38.59 9.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -106.46 119.31 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -119.17 136.48 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -127.31 140.61 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.98 149.31 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -129.48 140.46 51.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -170.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 150.89 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -125.65 130.08 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.37 149.6 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.14 67.67 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.048 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -150.29 145.79 19.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 111.044 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 74.9 Cg_exo -54.31 143.83 63.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.763 2.308 . . . . 0.0 112.327 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.74 -45.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.45 -42.61 99.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.5 -40.77 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.946 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.78 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.59 -43.57 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -58.61 -43.86 89.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.03 -22.69 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -51.46 -54.18 29.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.409 HG23 HG11 ' A' ' 43' ' ' VAL . 26.6 m -127.83 78.34 1.82 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -124.23 153.42 68.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 161.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 43' ' ' VAL . 21.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 87.4 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.903 0.382 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -124.77 135.13 52.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 172.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.37 129.14 20.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -132.16 153.02 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -173.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -136.82 130.15 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 23' ' ' PRO . 82.9 t -129.83 129.77 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -104.56 110.66 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 164.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 45' ' ' LEU . 43.8 mt -85.44 85.91 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -160.32 156.86 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.14 118.4 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 171.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.39 -8.57 78.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.05 152.18 45.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.546 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.04 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -147.97 157.1 43.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.3 p -151.57 151.75 31.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -139.86 127.35 21.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.48 130.02 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.7 mtm -121.28 132.62 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 47.7 mm-40 -130.1 143.37 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 148.41 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.84 -35.6 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -87.11 -2.61 58.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.54 20.02 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -86.74 -21.53 26.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -159.88 164.39 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.56 171.43 44.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.63 148.82 51.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -108.94 128.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.21 133.26 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.55 147.67 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.03 165.84 33.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.432 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -136.44 148.97 48.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.769 0.318 . . . . 0.0 111.119 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -81.61 143.47 31.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -114.47 -27.76 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -151.38 136.25 17.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.5 t -141.43 125.9 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -133.78 102.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 51.83 30.19 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 162.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 62.39 14.76 7.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.847 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -110.11 -40.02 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.927 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -133.38 120.43 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 pt -138.87 147.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.6 140.82 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.405 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 51.9 p90 -144.73 162.65 36.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.74 143.56 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 50.0 p90 -136.89 103.36 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.57 -128.05 29.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.569 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -97.47 21.15 10.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -134.88 170.93 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -135.04 158.43 44.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' HE1' ' A' ' 83' ' ' PHE . . . -145.69 151.29 37.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -136.54 132.28 35.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG23 HG23 ' A' ' 103' ' ' VAL . 61.8 t -115.63 130.69 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -123.72 142.16 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.84 122.79 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.0 tp -110.91 122.88 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.999 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -87.19 119.58 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -117.58 158.13 46.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 111.146 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.7 Cg_endo -63.67 -25.69 68.9 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.1 -23.89 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.506 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.61 -173.37 46.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -177.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.1 128.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.4 m -101.62 130.23 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.5 t -112.88 122.04 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 127.46 53.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.431 HG23 HG23 ' A' ' 90' ' ' VAL . 60.7 t -118.74 121.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.7 t -124.26 129.75 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -141.39 158.85 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.41 131.15 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.13 48.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -92.81 160.62 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.2 p -82.1 -25.45 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -85.36 -16.38 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -127.5 120.93 22.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.7 0.762 . . . . 0.0 110.971 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.32 142.9 67.41 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -55.85 -42.43 70.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.77 -35.65 77.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -71.71 -35.57 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.08 -47.21 83.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.62 -42.5 95.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.4 71.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.02 -40.14 71.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.68 0.276 . . . . 0.0 110.886 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -63.88 -39.89 95.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.12 -36.05 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -46.41 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.36 -38.99 85.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.05 -39.43 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.51 -43.83 96.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.79 -42.54 93.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.72 -48.21 81.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.24 -33.61 76.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -69.65 -42.17 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.0 -40.19 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 172.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.75 -32.73 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -85.23 -23.18 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -99.99 -12.34 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.0 tp -148.98 126.89 11.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -107.18 119.19 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.97 135.51 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -125.86 140.42 52.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.14 150.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -128.18 140.03 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -170.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -142.72 150.15 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -124.74 127.56 47.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.75 149.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.24 68.67 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.42 22.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.504 0.668 . . . . 0.0 111.137 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -55.12 144.54 69.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.289 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.53 -47.81 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -41.86 99.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.44 -40.49 89.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.4 t -67.93 -43.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -59.27 -44.78 92.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.16 -41.76 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.98 -22.44 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -46.89 -48.26 21.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -128.83 79.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.06 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -124.56 147.9 57.1 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 161.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.501 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 21.0 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -125.48 132.5 52.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.71 130.89 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -135.23 150.58 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -170.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.0 m -132.57 131.02 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.092 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.05 129.59 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.057 -169.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.58 108.39 19.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 164.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.6 mt -85.16 88.77 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ptt85 -163.14 157.59 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.1 118.79 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.79 -11.23 72.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.74 153.88 44.58 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.68 153.29 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -143.84 155.05 43.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -150.07 144.14 25.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -175.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -138.96 130.06 26.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -112.64 131.47 55.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.3 ttp -122.3 134.11 54.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -133.06 147.64 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.825 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.91 150.73 45.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.21 -35.92 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -175.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.35 -2.29 58.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.5 79.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -85.06 -20.51 30.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 ptp -156.98 160.08 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.71 164.32 37.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 173.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -132.38 141.68 48.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -104.81 119.36 38.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -111.27 138.63 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.53 148.64 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.4 166.16 32.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.3 m -134.71 141.57 46.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.137 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -81.11 140.87 34.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -116.25 -29.93 6.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -151.3 135.18 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -138.88 124.98 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.23 101.11 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.86 31.89 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 160.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.25 18.36 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.78 -45.85 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.17 141.36 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 79' ' ' ILE . 19.4 tt -147.54 126.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -121.92 139.98 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -150.77 165.05 34.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.14 132.45 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.094 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -122.15 98.53 5.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.79 -124.77 29.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.541 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -95.2 18.62 11.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.93 174.19 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.6 p -133.03 156.56 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.91 148.02 36.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -137.21 130.06 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.0 134.49 63.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -122.23 139.88 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -116.11 120.55 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 125.64 54.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.996 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.65 122.69 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -117.91 158.17 46.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.535 0.683 . . . . 0.0 111.109 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 43.0 Cg_endo -64.31 -25.26 64.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -96.65 -21.71 17.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.478 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 175.7 -172.04 45.08 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.33 128.15 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 111.048 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.7 m -101.12 130.53 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.94 121.66 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.01 123.95 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -175.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -116.98 121.85 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -123.54 127.92 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -143.31 160.13 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.4 t -81.89 130.95 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.64 142.72 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.453 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.5 tt0 -96.73 131.14 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -20.73 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.453 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 96.6 mt-10 -78.7 -18.26 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -128.52 138.88 34.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.689 0.757 . . . . 0.0 110.883 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 141.55 80.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.28 -43.32 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.12 -39.83 93.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -73.21 -35.05 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.15 -49.25 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.13 -41.42 86.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.11 -47.69 78.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -70.8 -39.0 73.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.94 -40.95 99.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.93 84.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.023 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.79 -48.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.18 -34.96 79.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.23 -34.74 78.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -58.53 -40.2 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 127' ' ' PHE . 1.5 m-30 -55.74 -51.27 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.35 -42.91 99.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.17 -35.22 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -76.76 -38.08 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.48 -46.42 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.06 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -79.37 -24.76 42.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -107.67 -8.01 16.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.7 tt -143.33 115.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -175.486 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -108.34 122.51 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -108.52 128.77 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.3 m -120.89 131.25 54.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.67 142.63 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.62 140.64 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -147.89 132.24 17.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -98.38 128.49 44.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.52 -16.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.919 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 59.26 58.23 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 175.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.05 162.77 46.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.02 141.24 79.57 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 0.0 112.288 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.66 -49.79 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.35 99.89 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.481 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.84 -41.77 95.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.11 -45.39 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.42 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.2 m0 -66.22 -41.37 90.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.95 -33.29 75.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.52 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.481 ' CD2' HG21 ' A' ' 21' ' ' THR . 39.9 t80 -56.34 -47.19 79.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -175.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.481 HG21 ' CD2' ' A' ' 20' ' ' TYR . 45.3 p -129.47 72.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.9 m -122.03 126.47 26.3 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 158.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -174.402 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.7 m -122.08 137.43 54.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -170.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.24 132.12 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.77 134.63 50.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -123.51 129.64 51.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 130.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.19 105.02 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -81.88 99.21 8.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -169.34 160.23 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.07 110.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -0.59 65.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.421 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.26 149.89 34.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.06 147.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -174.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -131.83 141.92 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 168.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 t -144.05 139.5 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -135.42 121.41 19.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.74 128.18 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.37 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -131.63 144.06 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.47 143.92 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.28 -34.6 61.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -90.36 -0.43 57.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.44 77.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -94.22 -31.73 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -125.21 168.55 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -170.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.96 166.08 31.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.566 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.02 141.9 36.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -112.99 106.7 15.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -110.27 134.34 52.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.41 144.88 34.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.81 167.73 33.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -133.31 137.79 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.79 134.15 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.0 p -109.57 -23.06 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -158.63 135.22 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.5 t -138.06 127.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -127.5 99.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.71 36.68 14.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 165.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 76.1 m-20 57.56 24.5 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 175.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.73 -39.87 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -130.49 112.24 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.92 125.1 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.03 134.36 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.4 168.32 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.28 133.71 55.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -126.0 107.55 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 -124.25 33.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -173.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.29 4.42 54.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.957 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -108.11 166.68 10.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 152.32 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 170.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.1 151.36 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.09 130.05 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 103' ' ' VAL . 91.2 t -111.78 127.8 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.31 146.01 49.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -117.07 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 tp -114.65 125.34 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.87 119.69 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -110.38 159.06 33.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 175.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 37.2 Cg_endo -63.48 -25.37 70.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.294 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -99.44 -31.0 11.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.919 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . -177.02 -156.37 15.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.426 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.32 131.22 55.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.162 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.2 m -99.07 123.33 43.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.7 t -106.94 122.33 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -119.1 124.0 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 90' ' ' VAL . 61.9 t -122.73 126.13 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 t -125.6 130.05 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -144.22 161.23 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 -172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.91 135.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.88 97.63 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -50.76 161.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.8 p -75.8 -17.63 59.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.198 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.89 -30.56 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -172.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.22 142.06 41.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.804 0.811 . . . . 0.0 110.816 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.89 141.52 77.55 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.693 2.262 . . . . 0.0 112.376 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.71 -45.66 82.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.0 -43.44 98.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.69 -38.15 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -70.68 -38.7 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.38 -46.05 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.41 -35.11 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.42 77.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.495 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.73 -33.71 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -61.26 -43.69 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.53 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.69 -47.84 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.42 -33.79 73.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.23 -43.3 98.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -38.42 90.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.07 -45.89 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.65 -43.86 98.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.54 -35.1 79.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -67.7 -42.04 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.11 -42.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.8 p -78.34 -22.65 47.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -105.05 -4.24 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.65 114.97 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 178.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.48 122.15 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.4 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 4.3 mp -112.61 130.49 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.7 m -119.43 132.38 55.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.26 140.04 50.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -130.07 137.43 50.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -148.47 134.39 19.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.092 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -101.24 125.69 47.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.97 -15.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 60.33 56.21 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 174.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -143.85 162.2 42.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 36.9 Cg_endo -64.61 144.44 84.46 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.72 -48.41 87.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -168.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.83 99.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.475 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.22 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.817 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.1 -41.46 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 7.4 m95 -61.64 -41.37 97.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.31 -42.0 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.05 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 21' ' ' THR . 32.2 t80 -57.43 -40.18 77.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.544 HG21 ' CD2' ' A' ' 20' ' ' TYR . 60.1 p -130.66 69.26 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 175.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -117.95 126.57 27.2 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.567 0.698 . . . . 0.0 111.114 154.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 C-N-CA 122.784 2.322 . . . . 0.0 112.287 -175.102 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -123.91 132.03 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.13 133.23 54.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.08 134.47 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -174.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -128.97 127.8 42.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.19 132.86 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -117.99 110.22 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 165.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.51 99.74 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -170.08 158.39 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.46 111.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 171.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.32 -3.59 66.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.18 147.07 38.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.434 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.41 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.104 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -132.52 143.85 50.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 170.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -140.71 138.21 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.7 t -131.41 118.94 20.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.88 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.7 115.02 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -119.21 126.24 51.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.61 148.78 42.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.83 143.92 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -53.48 -34.96 59.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -90.1 -0.06 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.24 21.54 75.8 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -85.29 -29.02 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -158.9 164.88 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -173.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.12 169.0 40.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 171.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.83 142.83 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -106.37 117.9 35.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.23 138.92 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.83 146.86 39.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.038 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.74 163.94 30.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.434 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -137.46 140.15 41.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 56.0 m-85 -79.68 137.72 37.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -113.53 -29.12 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -151.67 133.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -136.75 126.32 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.69 101.5 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.76 33.48 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 161.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.97 30.7 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -118.28 -48.96 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -132.07 126.58 34.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.16 129.7 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.8 137.0 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.447 ' HE1' HG21 ' A' ' 90' ' ' VAL . 52.5 p90 -150.3 167.55 26.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -174.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.83 135.63 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -125.05 101.69 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.02 -124.07 27.54 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -91.46 -2.22 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.904 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -104.51 169.2 8.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.99 154.85 46.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.05 152.2 31.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -135.79 129.83 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 103' ' ' VAL . 91.1 t -111.85 128.04 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -128.27 141.64 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -109.73 129.73 55.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 168.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.44 119.6 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.594 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -107.67 162.75 18.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.517 0.675 . . . . 0.0 111.137 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.594 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 35.4 Cg_endo -62.17 -24.69 76.5 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.719 2.279 . . . . 0.0 112.298 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -98.61 -34.92 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.747 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . 179.55 -159.41 23.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.5 t -90.41 131.03 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.14 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -98.54 123.44 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 165.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.17 122.22 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 -172.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -118.82 122.46 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 90' ' ' VAL . 61.3 t -124.43 126.55 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -120.25 130.03 54.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.4 ' CE2' ' HB ' ' A' ' 3' ' ' ILE . 38.1 p90 -141.58 155.1 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.83 140.53 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.65 90.71 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -45.81 153.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -65.31 -21.88 66.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -78.94 -21.2 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -111.36 112.62 54.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 111.019 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.92 142.6 63.68 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.348 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.65 -44.01 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.35 -42.17 98.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -39.95 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -71.78 -42.11 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -56.97 -50.24 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -71.12 -40.05 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.22 -49.31 62.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -69.35 -36.68 77.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.681 0.276 . . . . 0.0 110.936 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -63.65 -40.42 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.02 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.12 -45.26 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.94 -37.55 84.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -41.36 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.13 -41.34 94.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.61 -44.73 90.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.88 -34.52 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -71.19 -39.71 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.33 -41.95 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -39.41 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -76.63 -19.79 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -99.63 -5.28 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.3 tp -148.69 112.53 5.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 173.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -109.83 129.95 55.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.8 mt -112.34 130.43 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.8 m -127.96 130.95 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 142.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.76 144.04 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.89 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p -140.19 141.52 35.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 m -120.09 129.12 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.18 149.39 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.42 ' HB1' HD13 ' A' ' 135' ' ' LEU . . . -85.65 60.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.684 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -140.08 147.76 51.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.115 -178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.09 142.86 82.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.323 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.08 -42.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 -173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.9 71.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -68.59 -40.23 80.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.25 -55.68 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -170.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -65.33 -34.2 77.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -63.23 -43.65 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.881 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.74 60.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -45.4 -45.42 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.0 m -135.76 84.82 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.2 p -123.48 144.19 43.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.488 0.661 . . . . 0.0 111.153 161.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo . . . . . 0 C--O 1.23 0.112 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 177.567 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.8 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.934 0.397 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.7 m -120.65 135.55 55.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.67 140.99 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.29 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -134.59 129.32 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.47 129.26 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -172.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -112.12 102.0 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.846 166.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.3 tp -82.55 101.61 10.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -168.92 159.51 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.9 111.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 174.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.0 78.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.7 149.85 40.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -142.76 154.94 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 169.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -149.9 146.63 27.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -132.75 122.88 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.24 127.45 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.5 mtt -116.53 126.45 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -128.51 144.44 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.12 123.65 24.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.29 -32.47 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -84.06 -1.94 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.51 15.15 81.41 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.7 p -83.57 -33.16 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.864 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.0 ptp -158.8 164.15 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -172.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.7 163.42 37.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.23 144.27 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -111.91 120.72 42.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.23 136.27 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.59 147.99 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.7 33.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.51 172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.9 m -130.85 139.73 50.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -78.85 142.8 36.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -112.76 -27.51 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.72 137.35 12.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -140.67 123.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -129.47 100.54 5.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.82 30.44 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 163.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 58.25 22.63 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -109.85 -40.17 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -135.53 125.12 25.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -137.52 124.89 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -124.14 136.95 54.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 50.4 p90 -149.76 164.99 33.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.951 -174.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.49 135.46 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -125.06 100.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.25 -121.35 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -98.41 15.23 25.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 72.5 mtm180 -128.79 174.35 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.2 p -130.0 155.31 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -150.17 148.6 29.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -139.82 133.57 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.69 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.16 143.04 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -119.35 120.86 38.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.64 124.62 52.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -89.28 117.57 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.775 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -111.81 159.79 32.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.087 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 43.3 Cg_endo -64.44 -25.67 63.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 176.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.98 -22.69 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.503 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.32 -171.51 44.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.89 129.49 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 111.028 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.2 m -104.98 130.72 53.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.58 127.0 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -113.1 120.07 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -121.94 124.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.7 t -129.51 131.02 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -136.52 154.68 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.785 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.402 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 94.3 t -75.03 130.32 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.92 139.71 52.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.43 127.46 35.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.0 p -62.69 -24.8 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.35 -14.88 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 97.8 m-85 -126.57 142.66 43.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 54.3 Cg_exo -55.06 135.98 71.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.32 -42.5 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.09 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -36.69 84.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.35 -50.55 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.75 -39.76 73.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.14 -51.95 45.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -65.54 -31.61 72.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 110.943 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -63.66 -45.2 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.68 -36.71 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.23 -47.77 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.54 -31.37 70.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.37 -35.44 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.87 -38.8 92.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.49 ' N ' ' HD1' ' A' ' 127' ' ' PHE . 3.0 m-30 -60.0 -44.59 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.93 -51.7 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.78 -34.0 77.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.72 -46.62 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.74 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.56 -42.62 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 174.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.51 -34.38 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -72.16 -15.52 61.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -99.23 6.49 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 11' ' ' ALA . 90.0 mt -94.96 -11.05 29.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.01 179.275 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -110.15 122.17 47.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.404 HG21 ' HA ' ' A' ' 117' ' ' GLN . 89.2 mt -113.11 128.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -127.12 132.94 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.58 142.14 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -116.38 141.44 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -135.59 135.96 40.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.4 m -116.32 125.02 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.17 148.56 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.05 63.46 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -140.34 140.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 111.057 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.84 142.24 33.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.717 2.278 . . . . 0.0 112.387 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.24 -42.8 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.88 -42.59 69.99 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.05 -38.76 75.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.77 -54.78 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -44.93 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 -17.81 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.428 ' CD2' HG21 ' A' ' 21' ' ' THR . 77.6 t80 -46.3 -54.11 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' CD2' ' A' ' 20' ' ' TYR . 13.5 p -135.14 80.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -110.04 146.99 35.32 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.141 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 81.3 Cg_exo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.624 2.216 . . . . 0.0 112.338 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -118.41 130.03 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.42 141.66 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 172.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 23' ' ' PRO . . . -140.45 152.12 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -137.78 130.11 29.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 167.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -127.26 127.35 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -101.71 110.22 22.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 167.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.8 91.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -167.48 156.48 9.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.1 117.38 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.1 -10.76 74.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.482 -175.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 149.89 48.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.99 153.56 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.93 154.99 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -150.4 146.18 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -136.85 127.22 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -104.23 129.99 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.899 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -124.81 119.26 28.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -129.07 144.82 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -169.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.68 125.32 26.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -54.77 -33.33 61.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -83.07 -0.84 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.08 16.26 80.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 166.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -84.8 -30.07 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -158.38 164.8 35.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -173.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.83 158.93 31.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.405 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -132.53 141.37 48.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -111.95 123.03 49.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.26 134.95 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.2 162.97 30.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.6 m -139.19 143.42 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -79.28 141.12 37.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -114.99 -29.97 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -153.7 135.83 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -140.51 123.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.98 98.97 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.0 30.45 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 166.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 58.45 22.87 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -110.78 -43.91 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.71 123.3 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.5 mt -137.67 124.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -121.62 138.81 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.25 166.15 30.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.51 133.23 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -125.39 104.1 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.96 -126.3 31.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -97.35 19.89 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.87 174.18 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -132.38 157.81 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 153.8 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -142.47 137.21 30.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.95 137.58 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -122.98 143.29 50.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.86 123.56 47.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 128.05 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -82.88 120.22 25.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.534 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -103.53 161.81 21.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 56.7 Cg_endo -68.92 -29.93 27.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -100.78 -10.18 21.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.97 -167.08 37.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.405 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.0 t -121.69 131.75 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -110.04 138.89 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.62 130.58 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.16 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -116.09 119.99 37.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -122.3 128.39 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -122.58 133.83 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -118.86 153.41 34.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.51 128.18 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 160.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.57 152.19 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -79.99 151.94 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.9 p -88.4 -24.75 22.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.46 -10.55 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -128.59 145.99 58.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.87 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.02 145.61 74.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.92 -31.74 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.51 -43.95 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.84 -39.42 90.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -66.37 -48.35 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -60.9 -47.7 85.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -175.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.63 -38.59 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -49.22 63.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -68.72 -35.27 76.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.659 0.266 . . . . 0.0 110.885 -177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -65.04 -44.0 90.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.89 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.056 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.18 -44.27 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.64 -32.39 73.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.92 -38.59 91.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.7 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -57.71 -51.87 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.86 -36.48 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.15 -47.98 80.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.733 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.69 -45.1 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.75 -36.96 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -69.35 -17.97 63.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -99.98 3.27 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 11' ' ' ALA . 96.3 mt -96.0 -6.06 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 178.106 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 CA--C 1.526 0.025 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -109.94 128.25 55.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.7 mt -112.13 129.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.0 m -125.33 134.54 52.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.27 142.71 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -121.23 141.68 50.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -139.09 138.67 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -120.52 128.5 53.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 m -127.95 149.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.79 64.15 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -141.14 150.1 57.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 111.087 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.39 141.12 73.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -52.4 -41.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.65 -43.07 68.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.76 -36.24 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.961 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.58 -55.14 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -67.71 -33.69 75.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.65 -43.06 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -19.83 61.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -48.71 -42.18 34.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -136.69 80.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.2 p -119.78 144.98 38.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.563 0.696 . . . . 0.0 111.159 162.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 176.146 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.869 0.366 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.7 m -135.67 140.42 44.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 171.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.05 131.1 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.36 138.44 47.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.3 m -130.41 129.67 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -130.31 125.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 -173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.93 104.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.818 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 tp -82.84 100.7 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -167.95 159.73 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.17 111.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.47 -5.09 80.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.46 151.0 37.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 152.42 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 111.01 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -143.19 155.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -152.89 146.15 24.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -141.09 127.7 20.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -109.87 129.93 55.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.13 135.38 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -129.18 145.99 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 146.61 54.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.68 -34.57 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.48 -0.8 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.38 77.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -86.23 -22.01 27.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -159.99 165.15 32.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.07 170.05 42.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -134.95 144.66 47.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -106.81 120.08 41.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 137.51 48.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.25 147.74 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.23 168.24 33.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -131.56 139.37 49.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 111.132 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -77.27 142.09 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.5 p -112.9 -27.03 8.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -157.21 136.24 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -140.26 123.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.089 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -129.78 101.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 53.38 30.51 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 164.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 58.91 20.57 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.784 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -110.15 -40.02 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -130.19 119.85 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.4 mt -135.8 118.46 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.92 138.66 53.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.407 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 47.4 p90 -149.86 165.05 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -174.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.97 133.15 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -125.08 100.07 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -123.97 27.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -96.3 15.44 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -134.67 175.03 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -131.62 156.07 46.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -149.54 150.5 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -137.14 135.85 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.0 134.33 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -125.1 142.69 51.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -118.08 124.16 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 tp -115.06 124.15 50.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -88.31 118.84 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -113.51 158.97 37.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.579 0.704 . . . . 0.0 111.07 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 41.0 Cg_endo -64.4 -25.37 63.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.81 -24.72 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.989 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.509 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 178.45 -171.69 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -114.04 127.93 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 111.14 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 m -104.44 129.7 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.15 124.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -112.81 121.16 43.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.49 124.05 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.1 t -127.61 132.49 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -137.58 155.29 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.1 t -83.58 132.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.98 145.75 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 89.0 tt0 -92.25 129.0 38.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 175.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.9 p -66.11 -21.29 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 74.4 mm-40 -72.79 -12.76 61.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.3 m-85 -128.08 142.18 43.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.709 0.766 . . . . 0.0 110.869 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 53.7 Cg_exo -54.99 136.49 73.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.66 -42.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.25 -41.48 96.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.51 -37.22 86.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -70.71 -42.55 70.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -61.58 -51.93 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.32 -39.39 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.7 48.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -66.02 -33.23 75.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.655 0.264 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -63.75 -45.36 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.96 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.45 -46.42 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.2 mp -68.75 -33.7 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.61 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -60.62 -42.45 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -58.82 -48.35 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.1 -34.87 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -63.54 -39.83 95.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.4 -44.93 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 172.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.27 -32.38 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -67.48 -20.03 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.23 6.06 42.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 11' ' ' ALA . 97.5 mt -103.9 11.9 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 175.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 178.214 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.811 0.338 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.6 120.82 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.05 130.67 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -124.84 129.85 51.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.8 t -134.81 141.22 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -122.91 145.96 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -146.81 140.1 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -115.44 125.29 52.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.34 149.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 63.61 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB3' HG13 ' A' ' 131' ' ' VAL . . . -142.05 149.0 50.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -65.1 141.3 69.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.8 -40.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.06 -42.75 82.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -74.02 -34.02 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.983 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.51 -53.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 -172.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -67.01 -30.87 71.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.69 -45.32 79.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.73 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -45.47 -43.59 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -134.7 87.17 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -121.29 149.7 52.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.131 163.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.434 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 48.0 Cg_endo . . . . . 0 C--N 1.34 0.116 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.913 0.387 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.6 m -128.63 131.89 48.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.78 41.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HD3' ' A' ' 23' ' ' PRO . . . -138.72 138.57 37.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -133.89 129.17 36.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.04 134.99 61.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -111.01 100.67 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 166.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -80.52 99.66 8.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -168.88 159.75 9.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.78 111.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.91 -8.5 76.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.05 150.54 41.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.526 -177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.56 155.4 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.1 155.03 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 170.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -152.71 145.29 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -142.71 129.91 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -105.56 128.65 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mtt -119.19 134.76 55.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -128.32 147.09 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 146.76 54.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -58.4 -32.93 69.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -90.25 -1.01 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.62 76.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -159.99 165.02 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.93 170.82 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -136.97 149.95 47.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -105.62 119.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -104.36 132.33 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.35 141.91 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.32 170.76 34.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.57 138.89 50.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 111.154 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -76.05 140.83 42.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.9 p -111.43 -27.67 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -158.5 136.18 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.03 125.39 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.15 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.5 99.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.44 32.11 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 164.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.73 21.23 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -109.94 -40.1 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -131.17 119.98 22.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.3 mt -133.22 117.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.17 137.71 54.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.438 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 38.5 p90 -149.16 163.18 38.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -174.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.81 143.99 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -137.53 103.7 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.47 -119.97 12.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.5 8.79 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mtm105 -116.4 166.81 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.6 p -129.95 157.81 41.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -149.98 146.14 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 175.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -138.91 134.13 32.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.97 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.58 133.71 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -124.88 147.23 48.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -120.06 126.59 51.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.02 122.16 46.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -86.0 120.33 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -118.34 158.46 46.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.086 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 39.0 Cg_endo -63.71 -24.99 68.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.67 -25.72 15.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 178.59 -169.57 41.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -176.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.02 128.06 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 111.065 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.9 m -101.65 130.0 47.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.63 124.19 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -113.1 121.67 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.19 125.02 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.156 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -128.01 126.88 42.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -143.05 159.28 42.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -171.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -83.62 133.61 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.27 141.8 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -74.12 124.89 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.8 p -66.64 -25.85 66.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.89 -17.06 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.74 155.02 75.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.713 0.768 . . . . 0.0 110.894 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 139.76 83.98 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.261 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.46 -43.98 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.057 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.32 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.12 -39.0 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.23 -39.95 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.63 -47.26 86.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.98 -36.07 82.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.81 -48.97 71.59 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.689 0.281 . . . . 0.0 110.917 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.3 -43.22 98.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 176.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.34 87.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.42 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.87 -34.4 73.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -65.5 -40.8 93.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.11 -36.92 82.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.92 -45.64 86.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.54 -44.01 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.41 -35.01 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -64.5 -43.16 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 11' ' ' ALA . 54.0 t -59.3 -43.65 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.95 -36.95 85.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.4 p -85.78 -22.77 27.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -93.26 -13.05 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.77 32.89 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -108.84 126.75 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.95 129.53 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -122.09 131.4 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -133.38 141.36 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.98 144.63 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -145.77 138.73 25.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -116.61 128.58 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -173.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.16 148.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.59 63.7 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.77 148.31 52.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.086 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.34 140.9 72.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.764 2.309 . . . . 0.0 112.322 176.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -52.38 -41.52 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.12 -43.99 73.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.06 -33.81 70.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.8 -54.46 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -70.73 -30.96 67.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -64.86 -43.87 91.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.31 -18.17 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -53.17 -41.67 65.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -174.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 p -135.65 79.85 1.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 p -124.48 147.49 55.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.058 158.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 178.027 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.7 m -135.16 133.48 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.8 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.71 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 171.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.68 126.17 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -93.37 108.58 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.09 84.0 7.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -169.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -165.19 156.96 15.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.01 119.66 8.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.54 -8.29 78.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.36 152.51 48.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.05 150.71 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.011 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -144.77 158.82 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.7 p -153.39 154.89 35.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -137.13 126.07 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -103.9 113.0 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.1 mtt -120.27 134.92 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.84 153.95 48.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.97 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.12 151.81 46.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.95 -34.36 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -91.07 -0.34 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.67 21.65 76.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.44 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.3 p -85.23 -20.62 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -160.0 163.9 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.65 169.66 42.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.23 140.78 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.69 117.78 35.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -105.95 137.56 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.56 145.28 34.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.95 34.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.426 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 m -136.19 143.34 44.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.58 140.35 42.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.0 p -114.2 -28.85 7.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.88 134.36 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.6 t -138.24 124.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.91 99.08 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.05 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 52.99 29.83 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 58.07 23.32 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -108.14 -42.48 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.99 124.45 29.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.0 mt -134.82 127.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.08 135.31 54.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.47 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 48.5 p90 -150.94 166.42 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -173.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.7 133.13 55.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -119.54 98.08 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -174.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.94 -124.47 23.55 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -89.88 6.73 40.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 83.4 mtm180 -119.3 175.21 5.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.8 p -127.26 156.24 42.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.47 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -151.14 147.47 27.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -138.61 131.46 29.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.28 135.14 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.31 142.61 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -116.23 121.04 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.28 128.01 56.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -83.44 121.19 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -112.42 159.28 34.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.504 0.668 . . . . 0.0 111.126 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.3 Cg_endo -63.87 -29.01 67.46 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.28 -24.87 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.462 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -175.28 -163.94 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -175.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.26 129.7 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 111.122 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.9 m -101.44 129.96 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.82 124.32 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -115.9 120.65 39.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.85 124.04 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t -123.95 129.01 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -142.14 159.02 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.43 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.1 t -77.39 135.81 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.72 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -76.46 128.46 34.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.9 p -69.01 -25.93 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.15 -14.45 60.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.08 147.13 58.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.705 0.764 . . . . 0.0 110.887 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.05 141.34 79.52 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.28 -33.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.58 -39.24 84.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.4 -41.77 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.36 -43.44 66.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.7 -49.79 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.57 -40.95 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.65 71.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.754 0.312 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.65 -39.88 95.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.05 78.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.68 -43.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.05 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -67.05 -35.94 80.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.69 -47.78 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 171.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.93 -50.24 74.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.4 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -62.22 -44.26 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.25 -43.94 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 174.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.02 -33.49 74.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -74.61 -20.41 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -100.74 -9.03 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.6 35.27 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -175.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -110.3 124.66 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.4 127.76 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.3 m -121.83 130.93 53.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -134.72 142.24 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.59 142.49 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -140.54 128.8 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.2 m -102.06 126.69 49.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.24 147.85 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.28 65.41 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.86 148.56 52.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.66 138.51 64.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.2 -33.4 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.148 -166.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.72 97.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.91 -30.8 65.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.9 -55.16 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -73.73 -26.98 60.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.32 -45.0 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.06 -22.95 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.147 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -58.9 -32.67 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.3 p -123.59 71.22 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.123 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -122.88 156.02 62.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 111.123 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.607 2.205 . . . . 0.0 112.328 174.018 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.862 0.363 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -132.95 128.62 36.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.86 132.42 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.9 46.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -122.64 125.97 46.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 169.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.37 123.92 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -171.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -102.49 106.29 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 167.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.85 89.52 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -173.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -164.84 158.79 17.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.11 118.1 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.02 -6.08 82.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.04 158.65 52.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.69 152.09 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.88 156.88 45.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 171.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -151.46 142.48 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -131.89 125.09 30.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.784 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -114.98 125.39 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -113.54 132.92 55.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -129.02 146.24 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.12 146.28 49.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.6 -29.3 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.917 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -95.08 -0.06 53.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.1 21.93 75.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -86.64 -24.54 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.424 . . . . 0.0 110.939 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.96 164.4 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.49 168.99 42.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.26 148.11 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -118.9 118.64 32.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.36 139.0 49.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 147.76 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.32 167.65 33.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.9 m -134.49 138.92 45.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 111.093 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -76.87 139.9 40.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -111.76 -25.14 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.86 133.01 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.76 126.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.33 100.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.29 29.66 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 57.79 22.4 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -106.19 -39.66 5.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -129.15 118.35 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -129.74 123.02 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -172.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.0 134.75 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -150.49 168.48 24.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -173.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.38 132.26 56.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.49 106.09 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.76 -126.09 29.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -97.02 11.13 37.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -119.06 170.46 9.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.0 p -124.08 153.14 41.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.81 149.28 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.03 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.46 129.76 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.7 t -121.58 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.14 143.61 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -117.13 130.81 56.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 tp -118.08 123.85 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -90.13 117.09 28.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.548 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -109.79 161.99 22.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.052 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 42.4 Cg_endo -66.82 -26.78 44.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.81 -25.67 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.466 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -173.31 -171.68 38.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.27 131.57 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.917 0.389 . . . . 0.0 111.056 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.3 m -106.68 133.54 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.68 127.92 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.163 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -114.35 123.06 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.42 123.06 69.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.197 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -125.95 123.04 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.67 159.23 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -170.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.89 133.58 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.84 133.18 47.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -62.56 129.68 41.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.7 p -73.64 -26.15 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.27 151.9 70.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.71 0.767 . . . . 0.0 110.941 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.72 145.68 81.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.271 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.66 -33.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.48 -43.38 97.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.96 -41.39 95.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.04 -50.29 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.41 -40.88 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.82 67.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -70.98 -31.07 67.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -62.72 -41.71 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 170.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.22 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.02 -46.06 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.1 -32.0 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.35 -38.54 91.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 173.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.09 -37.46 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.47 -44.78 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 173.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.66 -47.89 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 -34.89 79.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.46 -45.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.78 -31.78 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -75.09 -20.61 59.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.6 -11.57 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.77 35.21 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 177.619 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -106.61 128.52 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -111.54 129.67 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.2 m -122.67 132.74 54.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -132.32 139.98 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -122.77 137.03 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -138.57 134.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -111.32 124.76 52.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.41 148.38 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.6 68.01 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.34 144.5 31.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.9 140.28 48.74 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.42 -43.61 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.96 92.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.82 -36.42 70.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.05 -55.77 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -66.26 -35.34 80.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -69.08 -43.08 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -19.73 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -53.73 -40.13 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -130.82 75.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -124.13 129.01 24.89 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 121.506 0.669 . . . . 0.0 111.134 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.511 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 83.2 Cg_exo . . . . . 0 C--N 1.34 0.129 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 97.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.893 0.377 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.1 m -127.71 134.39 49.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.59 123.21 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 23' ' ' PRO . . . -139.79 146.33 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -176.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -131.2 130.01 42.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.68 125.36 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -170.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -104.44 108.88 20.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 166.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.23 91.63 8.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -167.04 158.24 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 117.66 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.75 -11.32 72.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.553 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.71 150.55 41.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.81 153.04 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.025 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -144.04 156.39 44.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 173.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -151.8 141.13 21.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -136.28 125.1 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -113.22 129.67 56.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.2 mtt -118.17 138.0 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 56.7 mm-40 -130.17 151.01 51.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 149.66 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -58.07 -29.85 65.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -95.1 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.34 21.15 77.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 172.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.2 p -83.3 -22.29 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.857 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.1 ptp -156.34 164.77 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -176.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.27 39.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.426 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.98 148.47 50.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -115.57 120.64 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.28 141.13 48.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.09 147.37 46.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.35 167.55 33.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -138.51 142.48 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -80.84 138.36 36.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -114.45 -26.44 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.201 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -155.11 135.29 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.8 t -139.48 125.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.039 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.26 99.2 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -175.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.58 31.45 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 166.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.65 21.95 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -111.69 -40.19 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -134.3 126.36 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -135.06 126.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.75 135.52 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 50.5 p90 -150.12 166.52 29.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -174.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.77 131.14 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -119.07 100.0 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.48 -127.68 23.64 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.402 -174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -92.73 11.82 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -120.07 175.74 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -128.39 154.34 46.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -149.97 146.82 27.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -137.45 130.26 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.02 134.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -124.05 144.6 49.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.49 126.68 51.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.91 132.45 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.77 120.44 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -111.21 159.03 34.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.025 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 42.3 Cg_endo -64.14 -28.98 65.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -95.9 -22.42 17.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -178.94 -164.46 31.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.412 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.35 129.74 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 m -105.41 133.9 49.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -174.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.04 127.19 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.66 125.62 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.39 126.99 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.7 t -123.06 127.73 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -140.54 158.17 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -170.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.05 133.17 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.22 133.83 45.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.88 126.34 29.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.5 p -68.6 -26.81 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.58 -17.75 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -124.89 152.1 69.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 144.2 69.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.57 -44.16 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.69 -36.94 85.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.62 -42.02 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.21 -48.66 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.49 -40.15 73.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -47.63 79.97 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.4 -33.02 66.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.279 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.06 -39.4 92.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.18 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.57 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.27 -38.02 88.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.26 93.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.83 -47.24 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.74 -51.59 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.67 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.75 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.87 -45.74 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.72 -35.94 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.0 p -75.77 -20.97 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -105.23 -12.97 15.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -115.14 41.89 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 178.733 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 99.0 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.71 137.43 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.454 HG21 ' HA ' ' A' ' 117' ' ' GLN . 4.9 mp -98.01 128.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -165.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.6 m -121.15 132.0 54.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 171.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.47 156.35 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.21 140.0 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.2 m -136.13 135.2 39.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -110.12 120.09 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.03 128.34 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.98 73.64 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB1' ' CG2' ' A' ' 16' ' ' VAL . . . -154.73 161.3 29.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.028 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 37.6 Cg_endo -62.93 148.61 93.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 99' ' ' VAL . 69.5 t -57.04 -50.27 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -166.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.81 97.87 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -66.07 -41.07 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.53 ' CG2' ' HB1' ' A' ' 11' ' ' ALA . 77.0 t -66.21 -46.47 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -64.8 -41.42 95.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.09 -40.45 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -52.48 -51.1 61.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -134.38 83.9 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.5 m -133.49 128.4 20.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.149 162.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -177.75 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p -127.73 146.56 50.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -168.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.33 137.07 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 168.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.43 145.29 50.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.013 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -132.89 122.11 23.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 163.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.02 136.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -170.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.51 105.62 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.64 89.17 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -169.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -164.63 154.99 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.63 120.2 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.01 -13.5 66.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.429 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.5 158.28 48.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.495 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.34 153.22 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.041 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -142.03 153.58 44.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -148.03 141.36 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -142.16 124.42 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -99.86 128.86 45.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.5 ttm -119.85 130.09 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -130.46 148.62 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.91 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -55.87 -35.77 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -85.95 -2.2 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.51 19.2 77.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.9 p -83.03 -23.08 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.05 164.83 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.12 171.98 44.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.394 173.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.97 143.91 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.31 119.9 39.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -106.79 112.0 24.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.67 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.61 175.0 36.53 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.399 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -130.74 137.93 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -78.14 142.87 37.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.3 p -115.11 -25.04 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.202 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -155.66 134.61 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -141.07 123.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.0 98.89 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.089 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.82 34.07 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 165.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.58 19.78 6.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.49 -31.26 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -134.51 120.72 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.3 mt -136.33 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -125.06 136.65 53.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -151.06 169.23 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -171.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.83 133.21 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -116.84 95.32 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.91 -118.98 9.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -98.8 20.92 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.12 173.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.8 p -131.6 159.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 151.93 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.54 131.25 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.93 131.88 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -126.5 144.86 50.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.24 127.56 54.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.29 127.28 55.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -82.69 120.02 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -116.4 154.45 48.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.07 -26.31 65.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.633 2.222 . . . . 0.0 112.397 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -91.45 -25.82 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.491 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 174.94 -167.94 40.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 13' ' ' VAL . 89.2 t -103.1 123.74 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 m -96.86 124.11 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.85 122.05 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -117.05 124.53 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.98 123.74 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -132.8 126.23 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.36 159.09 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -172.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -83.23 137.66 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . -60.94 123.41 17.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.9 142.91 27.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.0 m -65.02 -37.4 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.78 -28.38 61.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.45 115.96 44.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.41 146.94 39.27 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.757 2.304 . . . . 0.0 112.262 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.58 -45.7 59.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.26 -40.24 95.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.8 -38.5 89.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -74.17 -41.11 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.454 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -57.75 -49.96 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.08 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.47 -52.03 38.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -70.65 -32.95 70.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -63.7 -43.09 97.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.41 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.95 -45.01 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.57 -40.46 97.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.56 -33.06 74.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.29 -35.39 78.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -57.35 -40.65 78.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.64 -40.48 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 174.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.28 -35.26 71.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.4 -47.86 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 11' ' ' ALA . 60.2 t -59.97 -45.45 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.14 -38.88 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.0 p -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.26 14.0 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.6 tp -151.98 118.63 5.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.55 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -97.42 121.74 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 107' ' ' ALA . 5.1 mp -110.54 129.76 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -124.45 137.91 54.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.27 156.96 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.46 138.8 33.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.8 m -141.53 137.37 31.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 m -114.06 125.02 53.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.74 133.08 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.43 72.49 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB3' HG11 ' A' ' 131' ' ' VAL . . . -149.52 157.87 38.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.588 0.709 . . . . 0.0 111.051 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.83 145.88 38.22 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HA ' HG22 ' A' ' 99' ' ' VAL . 67.4 t -57.25 -49.52 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.066 -171.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.1 99.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -39.57 92.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.489 ' CG2' ' HB1' ' A' ' 11' ' ' ALA . 63.2 t -67.64 -48.33 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -66.41 -41.97 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.37 -38.97 85.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.02 60.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.022 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -49.03 -49.42 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.9 m -132.37 83.02 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.4 m -127.92 128.46 23.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.55 0.691 . . . . 0.0 111.11 166.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.601 2.2 . . . . 0.0 112.402 -177.747 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.8 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.2 m -124.46 127.82 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -166.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.47 128.58 45.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 172.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.35 132.2 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -124.96 129.18 49.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -135.59 131.15 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -165.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -110.38 105.35 14.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 162.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.4 mt -84.8 84.53 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -165.11 161.62 19.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.07 114.42 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.53 65.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.41 145.74 29.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 147.23 26.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 t -141.01 136.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -135.27 126.09 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -107.0 121.83 45.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.5 ttp -113.3 127.92 56.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 174.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -129.86 145.96 51.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 144.51 56.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.47 -34.09 70.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -88.22 -0.98 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.16 19.61 77.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -82.14 -22.16 36.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.02 164.93 32.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.15 171.82 44.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -132.19 140.25 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -100.58 119.37 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -107.97 136.62 47.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 145.44 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.04 170.22 34.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.408 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -134.87 139.28 44.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -83.35 137.22 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.5 p -110.32 -21.89 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.176 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -154.69 132.71 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -141.34 122.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.65 101.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 52.17 34.95 15.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 164.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 56.42 22.57 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -114.02 -40.9 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.89 122.03 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.5 mt -136.43 121.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -174.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.87 133.66 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -154.53 173.03 16.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -172.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.85 127.98 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -114.7 96.75 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -170.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.26 -128.24 24.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.555 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.36 16.01 8.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -134.62 -179.99 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -127.23 158.05 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.74 151.49 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.91 131.84 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.3 t -114.41 130.82 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.32 144.42 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.19 128.14 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.99 127.79 56.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -84.02 120.03 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -115.53 155.46 47.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.154 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.13 -26.54 72.95 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.39 -25.07 17.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.486 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.16 -169.36 41.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 13' ' ' VAL . 83.1 t -107.91 123.53 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -101.17 130.33 47.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 124.05 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -117.74 125.86 51.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -121.31 123.87 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -123.55 130.48 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -139.79 155.9 47.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.78 138.29 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.495 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . . . -65.18 131.3 46.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -176.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -100.28 144.33 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -66.69 -37.52 84.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -75.67 -28.96 58.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -111.57 121.37 40.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.98 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -52.79 142.98 49.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.26 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 67.3 t -55.4 -46.7 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -37.78 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.58 -40.46 95.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.55 -43.03 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.14 -48.67 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -68.91 -38.51 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.71 -48.95 66.89 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -66.57 -35.64 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.09 82.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.49 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.34 -40.2 93.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.92 -36.68 85.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.44 -40.38 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.962 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -61.13 -41.91 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.98 -46.81 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.25 -46.5 88.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 11' ' ' ALA . 54.1 t -60.69 -45.78 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.98 -35.5 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.3 p -74.93 -19.88 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -120.01 8.41 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.6 120.98 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -178.069 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 98.9 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.49 141.4 36.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.27 127.32 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -165.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -119.96 135.03 55.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.27 140.45 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -137.58 135.66 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -138.37 141.19 39.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -115.49 130.06 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.9 148.31 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.45 64.65 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.47 144.94 29.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.86 149.95 88.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.24 . . . . 0.0 112.442 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.22 -35.0 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -171.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.89 -44.0 98.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -66.3 -44.72 82.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.884 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.47 -47.56 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -62.75 -44.25 96.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.5 -45.97 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.21 -20.89 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.45 -49.53 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -135.04 79.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.1 m -119.21 126.81 26.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 166.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.567 2.178 . . . . 0.0 112.332 -173.152 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.8 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.862 0.363 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -122.91 136.43 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.31 132.83 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 169.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.28 53.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.12 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -132.13 127.13 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 169.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.3 133.09 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -170.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -94.81 106.75 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 163.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.2 79.78 8.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -169.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -165.31 154.41 12.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.44 124.21 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.35 70.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.402 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.4 158.97 40.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.56 150.98 22.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.062 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -147.78 160.4 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.6 p -152.11 151.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -145.22 126.91 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -112.46 126.47 55.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.9 ttp -118.71 132.68 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -129.48 149.06 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.94 152.06 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.49 -40.32 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -88.37 -0.46 57.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.34 20.03 73.02 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.374 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -80.31 -25.08 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.88 163.71 39.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.88 169.73 42.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -116.62 134.48 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.3 110.66 22.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 172.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -108.64 138.17 45.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.59 156.37 44.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.7 157.64 28.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.4 m -124.35 134.66 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 167.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -75.49 137.5 40.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -168.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.7 p -114.36 -24.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.217 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -156.23 132.45 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.5 t -138.98 123.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.91 101.05 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 52.07 32.94 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 168.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 58.37 19.03 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -109.05 -40.13 5.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.63 116.04 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -131.56 127.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.2 137.16 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.67 164.93 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.44 138.47 50.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.34 90.85 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 178.091 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.71 -117.94 7.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.546 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -97.1 15.51 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 110.832 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.1 174.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -130.85 159.56 37.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 155.0 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -139.24 135.05 33.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.929 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 103' ' ' VAL . 62.0 t -115.27 128.59 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.94 145.81 49.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.97 129.91 55.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.26 126.51 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 175.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -86.16 120.48 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -113.76 158.34 39.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 176.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 39.2 Cg_endo -64.07 -26.81 65.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -96.11 -27.07 15.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -177.84 -169.11 38.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.65 131.54 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 111.076 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.5 m -106.29 130.44 54.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -116.96 129.01 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.51 127.09 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 90' ' ' VAL . 60.4 t -120.51 122.21 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -131.68 132.8 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -137.51 155.37 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.92 139.23 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . -70.07 140.21 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -175.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -86.36 149.33 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.9 m -79.12 -40.53 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.82 -24.32 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -174.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.0 m-85 -110.94 136.41 20.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 76.2 Cg_exo -55.43 140.88 82.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.38 -45.82 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -65.57 -44.21 87.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.978 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.536 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 9.0 mm-40 -74.64 -34.63 62.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.003 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.61 -43.13 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.81 -46.66 88.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.408 ' O ' HG22 ' A' ' 123' ' ' ILE . 54.8 m95 -70.95 -37.51 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.69 0.281 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.42 -41.49 96.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.77 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 120' ' ' TRP . 13.6 tt -75.32 -32.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.8 -36.77 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.33 -34.99 79.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 172.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -64.61 -35.35 80.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 171.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.491 ' O ' ' HB3' ' A' ' 130' ' ' HIS . 18.9 m-30 -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.47 -44.77 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 170.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.44 -31.43 72.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 127' ' ' PHE . 64.5 t60 -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.55 -44.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.23 -34.43 75.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.4 p -72.4 -16.9 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -113.95 7.28 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 135' ' ' LEU . 3.2 tm? -142.36 110.27 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -178.191 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -97.78 120.4 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.67 126.28 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -122.57 134.18 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.18 140.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -123.44 146.39 48.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -145.27 138.87 26.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -115.81 127.77 55.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.99 128.64 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 69.98 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.95 159.76 31.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 111.075 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -54.18 144.52 58.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.754 2.302 . . . . 0.0 112.318 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' HG22 ' A' ' 99' ' ' VAL . 67.7 t -56.81 -47.49 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -174.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.71 99.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.12 -40.25 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.65 -46.74 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -66.41 -42.55 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.77 -43.62 79.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.49 60.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -49.5 -46.33 48.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.989 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -133.16 74.28 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -113.49 127.2 27.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.521 0.677 . . . . 0.0 111.127 167.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 -176.261 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.869 0.366 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.0 m -127.68 121.38 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.192 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.36 134.31 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.151 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.22 137.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -126.87 125.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 166.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.71 127.05 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -94.67 104.97 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 80.04 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -164.33 157.7 17.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.06 123.1 15.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.29 -7.16 78.36 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.3 40.63 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.479 -176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.91 151.25 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 111.028 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -141.24 155.1 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 173.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -151.49 143.48 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -137.98 126.56 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -110.04 123.65 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.4 mtt -112.59 134.05 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -127.71 145.09 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.8 155.65 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -58.13 -35.05 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.24 -0.96 57.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.22 20.86 71.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.9 p -85.52 -20.72 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -157.34 164.25 37.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.67 170.95 43.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -121.7 137.97 54.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.51 115.78 30.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -104.08 131.27 51.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 144.79 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.22 168.75 35.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -131.73 139.08 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 111.182 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -78.39 142.63 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.9 p -115.0 -23.18 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -160.08 133.85 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.2 t -139.77 123.71 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.67 100.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.057 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 50.06 35.06 9.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 165.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 59.02 19.59 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.21 -38.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -128.36 121.12 28.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.5 mt -130.84 121.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -116.81 136.59 52.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 171.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -149.89 164.91 34.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.71 133.2 55.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.147 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -115.8 95.61 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -121.99 15.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.556 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -94.0 15.33 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 110.881 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -134.05 174.44 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -133.15 159.22 40.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.33 155.13 37.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -134.94 133.68 39.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -114.21 128.99 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.062 175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.35 144.42 50.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.6 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.3 145.25 43.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -89.7 116.28 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -99.02 159.85 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.422 0.629 . . . . 0.0 111.234 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 36.9 Cg_endo -62.97 -29.39 75.73 Favored 'Trans proline' 0 N--CA 1.466 -0.115 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -90.3 -27.46 19.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.442 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.33 -166.65 37.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 13' ' ' VAL . 94.5 t -100.07 121.67 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 111.06 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.0 m -103.53 129.93 50.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 -174.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.2 t -115.77 126.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -112.02 123.8 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.06 120.89 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 t -126.52 132.25 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -138.5 158.51 44.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.5 t -93.16 135.98 26.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 176.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.06 154.16 35.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.08 154.19 29.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -79.9 -36.58 36.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 175.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.16 -15.1 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.67 145.31 49.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.681 0.753 . . . . 0.0 110.929 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.4 142.95 74.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.25 -31.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.09 -43.44 92.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.43 -40.5 85.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.65 -42.26 82.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -57.89 -51.02 71.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -69.85 -42.5 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.31 51.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.63 -39.67 94.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.89 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.23 -45.38 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.9 -34.97 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.97 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.34 -40.84 97.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 173.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.26 -39.09 91.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.23 -45.39 93.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -65.27 -33.76 76.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -66.03 -40.62 91.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.06 -40.0 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.58 -36.03 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -67.23 -17.56 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -105.01 -2.88 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.7 tp -142.81 114.89 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.23 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -100.11 120.5 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.409 HD12 HG13 ' A' ' 113' ' ' VAL . 80.7 mt -103.46 127.82 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -121.03 132.49 54.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -132.15 139.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -124.71 136.08 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -136.61 133.86 36.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -114.95 125.54 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -120.59 133.27 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.17 72.18 10.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.022 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.81 160.99 30.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.036 -176.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.02 144.98 54.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.381 174.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.92 -34.38 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -45.99 94.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -66.74 -44.28 81.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.864 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.18 -45.9 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -65.93 -43.65 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.99 -35.04 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.39 -23.19 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.22 -41.73 89.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -174.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.1 p -135.05 70.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -124.68 117.53 26.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.52 0.676 . . . . 0.0 111.23 164.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.414 -179.203 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -130.27 135.46 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -169.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 137.46 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.88 146.05 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.048 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -132.71 126.38 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 165.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.9 125.6 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -90.96 112.19 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.62 79.31 9.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -165.95 157.23 13.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.91 124.01 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.11 -8.89 78.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.0 152.57 48.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.01 152.68 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -144.86 157.29 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 172.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -151.68 152.08 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -141.67 126.02 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -107.17 126.12 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.4 mtp -119.22 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -132.09 150.3 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.6 141.19 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.009 172.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -52.76 -38.53 61.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -85.01 -0.79 55.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.06 19.6 77.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.439 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -83.8 -26.44 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 -176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.93 163.78 33.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.834 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.22 169.51 42.64 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.0 137.57 47.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.08 120.08 40.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.13 137.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.68 145.03 33.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.19 171.03 35.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -138.48 144.03 39.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.727 0.299 . . . . 0.0 111.127 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -77.93 143.96 37.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.2 p -115.06 -26.42 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.189 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.62 134.44 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.3 t -141.45 123.32 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.3 98.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 52.43 30.74 8.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 165.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 58.84 21.08 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.79 -39.98 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -130.22 119.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -136.88 125.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.97 136.56 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 174.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.77 166.48 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.09 139.14 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 45.4 p90 -129.68 114.9 16.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.84 -131.61 28.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.531 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.48 23.93 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.826 172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -133.06 171.99 13.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 58.1 p -132.16 156.14 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.69 154.03 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -139.3 133.61 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.804 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.94 134.99 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -119.26 144.09 46.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -119.96 133.66 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 pp -136.58 143.18 43.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -94.12 119.36 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -101.72 160.12 27.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 111.167 175.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -63.1 -28.62 74.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.768 2.312 . . . . 0.0 112.283 177.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.55 -25.85 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.451 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.5 -170.2 42.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.23 124.31 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 m -106.76 131.66 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.11 126.21 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -116.58 122.93 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -175.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.6 127.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.9 t -127.04 128.1 45.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -142.39 160.53 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.51 135.18 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.66 145.53 45.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 -173.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -77.76 155.3 31.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.0 m -81.5 -37.27 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.66 -20.07 54.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 87.3 m-85 -115.67 137.54 23.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 62.0 Cg_exo -55.0 143.78 71.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 3' ' ' ILE . 65.3 t -56.72 -45.53 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -37.4 87.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.8 -39.9 95.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -73.06 -39.67 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.15 -48.18 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.989 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -72.13 -41.22 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.97 90.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -68.83 -38.16 79.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.671 0.272 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -62.53 -40.04 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.42 79.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.059 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.04 -45.07 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.26 -37.72 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.99 -36.23 83.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.12 -41.01 99.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -62.9 -42.89 99.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -50.78 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -67.89 -34.94 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.09 -46.98 81.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.46 -41.21 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -73.3 -10.84 60.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -107.38 1.71 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.8 tp -149.73 119.2 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 178.429 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -100.09 120.02 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.0 mt -102.83 128.86 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.0 m -121.15 132.8 55.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.11 157.03 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -141.84 136.69 30.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -140.91 133.87 29.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.1 m -112.05 125.65 54.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.46 131.08 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 75.79 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 16' ' ' VAL . . . -156.91 157.44 30.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.013 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.74 145.72 59.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.76 -36.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -175.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.93 96.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.81 -42.95 80.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.822 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 11' ' ' ALA . 71.0 t -67.61 -49.74 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.057 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.437 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 46.9 m0 -65.21 -42.28 93.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -174.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.25 -41.12 86.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.834 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.1 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -47.85 -55.05 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -135.53 86.45 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.0 m -127.63 129.64 23.78 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 166.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.283 -178.157 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -122.55 116.4 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 -169.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.53 134.4 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.58 138.52 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.074 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 122.03 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 168.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' HB2' ' A' ' 51' ' ' PHE . 6.5 m -130.78 135.67 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -100.51 107.86 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 164.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.93 88.33 7.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -165.57 157.13 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.28 119.2 7.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 173.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.45 -8.39 79.93 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.79 152.01 43.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.87 152.36 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 111.057 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HB2' HG12 ' A' ' 43' ' ' VAL . 54.6 p90 -144.77 158.32 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 174.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -149.83 152.15 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -142.23 130.88 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -113.16 126.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.9 ttp -115.32 129.9 56.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -130.06 148.0 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.2 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.03 -39.03 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.08 -0.06 56.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.09 21.09 76.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -82.22 -24.99 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.982 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -158.14 163.99 37.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.877 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.06 40.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.47 140.28 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.7 120.96 43.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.52 137.64 49.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.49 144.93 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.26 171.07 35.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.9 m -134.97 142.0 46.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -77.51 143.01 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.7 p -113.4 -25.02 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.15 135.52 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -140.96 122.44 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -132.65 101.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 50.85 33.33 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 165.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 78.5 m-20 56.34 20.75 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HA ' ' HB2' ' A' ' 92' ' ' PHE . 88.6 tttt -114.79 -36.14 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -130.27 119.15 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 171.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' HB ' HG13 ' A' ' 90' ' ' VAL . 90.0 mt -137.44 128.91 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -176.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.38 135.21 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -145.02 162.14 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.35 137.32 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.126 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 48.7 p90 -128.39 115.08 17.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.892 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.66 -129.81 27.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -97.63 26.25 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.24 170.34 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -132.38 156.7 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.16 154.96 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.26 132.06 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 79' ' ' ILE . 5.0 p -117.96 134.81 60.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -124.05 146.05 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 66.4 m-85 -116.34 123.35 47.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.19 128.3 56.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -85.42 118.11 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -115.91 157.71 44.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -63.8 -27.01 67.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.291 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.14 -26.34 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.7 -167.74 39.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.533 -176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -109.6 124.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.137 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.7 m -102.32 128.68 48.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.56 122.35 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.17 127.47 51.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.75 129.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t -123.24 126.89 47.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -144.51 159.33 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.37 135.02 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.67 144.91 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -83.51 124.59 30.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -61.56 -30.03 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.191 -173.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.52 -18.31 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.44 151.31 56.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.978 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -65.86 146.81 84.19 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.35 -42.19 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.1 -45.06 87.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.21 -40.46 94.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.36 -40.41 81.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.48 -47.69 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.44 -34.97 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.59 63.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -70.24 -34.49 72.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.665 0.269 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.37 -40.16 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.53 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.58 -46.15 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.69 -37.0 85.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.05 -37.11 86.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.31 -40.98 98.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -65.12 -43.52 91.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -64.17 -50.12 69.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -64.93 -32.71 74.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -60.09 -47.42 85.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.43 -42.79 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.16 -36.65 78.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.5 p -75.58 -18.9 59.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -109.95 7.2 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.7 tp -152.26 118.2 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.108 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -80.05 141.75 35.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.417 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 4.9 mp -107.77 129.38 61.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -166.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -121.09 134.33 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.32 139.97 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -130.53 135.27 47.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -136.08 136.4 40.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.6 m -116.6 129.54 56.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -125.18 133.7 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.3 76.28 9.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -175.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HB3' HD11 ' A' ' 135' ' ' LEU . . . -147.83 157.29 44.05 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.603 0.716 . . . . 0.0 110.979 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.33 144.09 62.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 174.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.48 -35.3 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -39.17 80.45 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.52 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -64.96 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -174.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG22 ' HB ' ' A' ' 99' ' ' VAL . 67.1 t -63.98 -46.73 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -66.78 -46.79 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.63 -41.69 87.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.93 -12.82 59.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -44.88 -49.78 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -168.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -132.98 88.8 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -123.38 126.76 25.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.53 0.681 . . . . 0.0 111.196 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 C--N 1.34 0.127 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -172.295 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -120.01 128.59 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.99 134.03 55.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.117 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.63 129.03 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -130.26 130.8 45.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 170.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.16 135.31 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -96.21 108.01 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 163.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.6 77.23 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -169.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -166.77 155.31 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.51 123.72 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.41 -3.72 66.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.9 161.89 42.35 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.11 145.0 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.061 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -131.92 143.4 50.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.5 t -150.41 131.54 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -133.01 126.07 31.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -113.3 119.73 38.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.2 ttt -111.68 130.01 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -131.72 149.35 52.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.0 145.7 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -51.59 -38.18 53.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.31 -0.97 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.97 19.47 67.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 172.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.3 p -82.97 -26.13 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -155.49 163.6 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.95 173.89 46.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 170.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.94 141.6 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -116.64 115.49 25.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -110.58 125.99 53.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.33 154.99 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.032 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.26 160.55 34.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.4 m -119.77 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.212 167.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -75.96 137.31 40.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -168.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.2 p -112.48 -22.18 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.18 132.61 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.61 122.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -128.92 101.55 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.47 33.57 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 165.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 59.74 18.42 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.77 -40.89 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.7 117.84 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.49 125.43 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -127.16 136.93 52.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.02 164.51 32.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.53 136.74 52.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.46 91.65 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 -117.93 8.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.575 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -97.04 15.19 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.79 174.22 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.1 p -130.87 158.82 39.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.2 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -134.68 131.39 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -173.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.54 127.49 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.61 144.7 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -118.63 132.73 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.7 mt -124.54 136.38 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -91.91 114.52 27.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -101.07 159.76 28.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 0.0 111.136 172.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 36.7 Cg_endo -62.83 -28.17 75.64 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.19 -28.35 16.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.501 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 179.6 -171.43 43.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.524 -176.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 16' ' ' VAL . 95.3 t -101.87 127.68 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.3 m -104.01 125.62 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -114.81 124.71 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -117.54 124.66 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.57 124.25 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.3 t -130.58 132.78 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 50.0 p90 -139.15 156.6 47.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.36 135.97 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.3 139.24 52.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -173.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -80.11 148.1 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -40.07 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.63 -22.32 50.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -113.26 136.74 21.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.09 143.85 72.13 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.625 2.216 . . . . 0.0 112.342 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.07 -45.02 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.61 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.53 -39.64 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -55.22 -48.88 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -69.99 -43.56 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.01 90.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' HG22 ' A' ' 123' ' ' ILE . 53.8 m95 -69.06 -36.24 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 110.933 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.96 -40.96 97.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.49 96.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 120' ' ' TRP . 11.2 tp -73.86 -33.07 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.73 -34.47 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.85 -36.42 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -63.03 -39.64 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 172.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.94 -36.1 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.54 -48.19 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.72 -25.15 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -57.54 -56.01 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.1 t -65.91 -41.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.126 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.68 -38.08 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -64.9 -18.72 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -103.13 13.68 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 11' ' ' ALA . 83.4 mt -106.76 135.51 48.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -86.97 119.9 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -108.38 133.39 53.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.5 m -114.91 132.48 56.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 m -131.28 147.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -140.28 145.09 36.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -168.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -142.34 143.78 32.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -117.13 124.86 50.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.62 132.65 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.04 70.15 10.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.76 35.06 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 111.125 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.73 144.96 51.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' HG22 ' A' ' 99' ' ' VAL . 68.1 t -56.86 -47.3 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 -177.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.11 95.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.12 -42.26 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -60.02 -43.75 95.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -62.08 -47.38 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.62 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' HD2' ' HG1' ' A' ' 21' ' ' THR . 73.9 t80 -65.31 -50.21 66.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.427 ' HG1' ' HD2' ' A' ' 20' ' ' TYR . 34.7 m -137.86 74.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -129.96 130.99 23.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.582 0.706 . . . . 0.0 111.111 158.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -51.69 -47.66 25.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.409 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.55 -36.01 75.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.74 -34.86 67.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.588 HG21 ' HB1' ' A' ' 41' ' ' ALA . 90.5 mt -64.05 -36.88 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 177.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.36 -30.09 66.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -83.73 -34.46 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -80.01 -9.53 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -38.65 98.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 46.24 38.87 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 40.69 48.62 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -77.13 147.38 36.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 -172.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.28 -35.31 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 36' ' ' TRP . 63.3 m-20 -112.18 -39.77 4.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 34.0 t-105 165.06 135.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -135.39 144.47 46.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -87.54 91.18 8.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.3 p -135.27 164.77 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 168.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.8 132.12 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.588 ' HB1' HG21 ' A' ' 26' ' ' ILE . . . -129.84 141.18 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -177.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.2 m -129.26 126.9 40.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 170.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.03 125.1 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -171.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -107.2 100.64 10.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -84.54 95.46 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -172.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -167.47 157.54 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.89 112.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.8 -5.07 69.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.22 147.98 19.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.14 156.29 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.88 154.98 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.4 t -150.68 140.78 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -137.51 121.65 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -108.78 129.89 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 80.1 mtp -119.75 138.03 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -129.68 152.96 48.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.29 150.61 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.74 -36.13 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -89.11 -0.63 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.68 77.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -83.59 -21.35 32.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -156.57 163.48 39.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.64 44.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -146.14 154.97 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -118.5 121.65 40.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -108.81 123.84 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 148.39 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.92 175.09 35.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -130.07 138.19 50.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -81.62 136.29 35.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -111.6 -23.43 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.63 133.28 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -139.64 124.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.99 100.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 50.38 36.36 12.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 165.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 58.47 22.15 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -121.4 -33.91 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -128.95 117.77 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.2 mt -136.66 111.1 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -173.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.95 139.24 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -150.02 165.17 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.76 135.85 53.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -124.04 95.67 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.13 -119.24 13.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -91.14 1.94 56.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 77.0 mtm180 -112.92 166.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -175.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.3 p -131.29 158.92 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.78 151.41 35.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -133.84 129.9 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.92 131.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -125.27 143.64 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -115.49 127.25 55.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.0 tp -117.98 129.39 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -86.37 117.76 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -112.79 156.24 42.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.715 . . . . 0.0 111.102 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.6 -26.7 69.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -91.94 -27.21 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.04 -169.95 42.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 13' ' ' VAL . 95.2 t -106.26 123.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 111.095 178.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.4 m -104.0 129.92 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.195 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.29 122.26 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.2 128.89 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.94 125.56 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t -117.42 124.41 48.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -141.18 156.42 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.425 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.0 t -80.65 136.88 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.33 147.03 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.419 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 15.7 tp10 -89.68 129.53 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -65.15 -22.26 66.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 97.6 mt-10 -79.8 -16.0 56.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.17 146.13 52.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.758 0.79 . . . . 0.0 110.9 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.08 142.91 85.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.4 -43.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.29 -42.2 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.04 -38.23 87.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -65.51 -43.87 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.08 -46.61 88.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.84 -42.24 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.51 94.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.696 0.284 . . . . 0.0 110.907 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.15 -39.17 91.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.28 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.76 -47.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.23 -36.72 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.38 -39.95 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.1 -42.15 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.43 -46.22 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.27 -36.08 82.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.61 -46.12 89.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.82 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.7 -39.02 67.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -72.16 -16.54 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -92.9 -3.66 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.7 mt -101.96 -37.11 8.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 56.09 39.14 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -165.03 114.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -178.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -85.24 118.36 24.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -103.46 127.7 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.6 m -119.37 133.82 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.411 HG22 ' HB3' ' A' ' 120' ' ' TRP . 30.5 m -132.75 151.42 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 175.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -143.44 143.73 31.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -167.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 151.18 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -125.28 130.1 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.74 142.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.25 70.02 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.08 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.2 154.18 36.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.15 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.14 144.38 58.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.29 -36.44 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.32 94.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.9 -42.19 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.55 -49.85 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.575 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.4 m0 -66.75 -44.08 82.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.09 -42.53 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.54 61.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -60.27 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -125.05 74.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.7 m -133.42 128.54 20.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.65 -49.15 18.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.3 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.72 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.51 -35.25 79.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -67.61 -39.68 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.28 -30.37 70.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -75.06 -20.48 59.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' ASN . 52.5 m0 -105.02 9.47 34.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' TRP . 98.9 m-20 -35.12 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' ALA . . . 44.77 42.49 6.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 171.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' ALA . . . 40.15 50.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 171.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.3 p -75.82 149.66 37.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 -171.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -97.3 -36.73 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 63.5 m-20 -111.92 -39.14 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 38.0 t-105 166.01 136.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -136.69 142.51 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 168.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -93.01 95.97 9.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 p -138.08 160.33 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 166.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.28 19.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.87 145.23 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m -131.52 126.42 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.48 128.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -170.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.35 100.16 9.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 164.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -82.54 96.3 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -172.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -166.17 158.96 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.99 115.77 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.02 83.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.35 155.3 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.405 -174.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.27 151.27 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.105 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -142.97 154.97 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 171.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -150.29 142.9 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -138.74 126.29 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -111.05 129.8 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.778 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 79.8 mtp -117.76 136.01 53.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' OE2' ' HA3' ' A' ' 63' ' ' GLY . 44.4 mm-40 -130.07 153.3 48.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.03 149.45 48.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.87 -35.92 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p-10 -88.63 -1.01 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.12 20.73 78.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.45 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -81.48 -19.72 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptp -158.08 161.03 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA3' ' OE2' ' A' ' 56' ' ' GLU . . . -171.78 165.76 38.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.419 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.38 148.7 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -109.0 122.15 46.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -117.72 120.13 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.24 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.172 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 173.05 35.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.3 m -131.54 139.28 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.13 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -79.25 144.33 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -115.02 -23.91 8.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.2 136.38 9.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -141.91 124.85 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.64 101.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 50.61 33.87 8.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 75.9 m-20 56.78 21.63 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -118.04 -30.58 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.89 119.77 21.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.79 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.66 110.34 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -117.64 138.78 51.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.4 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 54.1 p90 -148.5 166.35 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -175.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.1 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -118.89 97.44 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.31 -121.34 20.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -97.06 20.33 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -132.32 172.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.8 p -133.68 158.4 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.4 ' HB1' ' CZ ' ' A' ' 81' ' ' TYR . . . -147.67 153.48 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 178.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -134.84 130.09 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.14 130.16 65.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -124.01 144.86 49.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -117.23 127.1 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.06 128.05 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.6 116.8 25.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -112.38 157.49 39.93 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.563 0.697 . . . . 0.0 111.094 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.8 Cg_endo -63.65 -27.53 69.02 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -92.25 -26.05 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.499 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.59 -169.97 42.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.9 t -109.17 125.6 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 0.0 111.092 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -102.56 130.5 49.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.74 122.27 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -117.99 128.02 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.96 124.8 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 t -126.91 129.99 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -141.43 159.65 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -171.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.71 132.28 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.11 142.68 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.8 tt0 -95.19 127.7 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -63.46 -19.13 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -170.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 73.8 mm-40 -77.43 -15.99 59.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.89 141.28 40.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.683 0.754 . . . . 0.0 110.891 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.11 139.51 80.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.71 -45.05 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -42.81 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.83 -35.83 79.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.2 -41.55 81.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.52 -47.34 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.44 -41.45 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.84 -47.6 81.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.411 ' HB3' HG22 ' A' ' 5' ' ' VAL . 1.4 m-90 -67.14 -37.57 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.897 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.06 -39.32 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.95 78.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.86 -45.1 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.55 -36.24 83.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.11 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.79 -42.0 95.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.07 -43.52 87.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -57.99 -45.37 86.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.23 -35.88 81.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -66.9 -41.96 86.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.72 -42.17 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.05 -34.21 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.9 p -77.8 -24.11 48.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.58 -4.61 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 tp -97.5 -38.59 9.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.02 43.22 17.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -165.1 114.52 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 176.107 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -106.46 119.31 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -119.17 136.48 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -127.31 140.61 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.98 149.31 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -129.48 140.46 51.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -170.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 150.89 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -125.65 130.08 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.37 149.6 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.14 67.67 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.048 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -150.29 145.79 19.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 111.044 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 74.9 Cg_exo -54.31 143.83 63.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.763 2.308 . . . . 0.0 112.327 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.74 -45.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.45 -42.61 99.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.5 -40.77 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.946 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.78 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.59 -43.57 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -58.61 -43.86 89.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.03 -22.69 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -51.46 -54.18 29.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 HG23 HG11 ' A' ' 43' ' ' VAL . 26.6 m -127.83 78.34 1.82 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -124.23 153.42 68.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 161.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.599 ' HD3' ' HB ' ' A' ' 43' ' ' VAL . 21.5 Cg_endo -61.4 -40.92 44.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.17 -44.66 94.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.97 -42.21 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 79.2 mt -67.24 -43.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -176.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -90.11 -31.56 17.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -90.14 -9.65 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 1.2 t-20 -76.21 -171.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.55 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.18 112.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -164.99 -167.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -167.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.25 -9.32 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -83.4 10.51 8.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 59.76 40.59 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -93.24 138.27 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 87.4 m -94.98 115.0 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -124.77 135.13 52.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 172.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.37 129.14 20.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -132.16 153.02 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -173.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -136.82 130.15 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.599 ' HB ' ' HD3' ' A' ' 23' ' ' PRO . 82.9 t -129.83 129.77 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -104.56 110.66 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 164.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 45' ' ' LEU . 43.8 mt -85.44 85.91 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -160.32 156.86 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.14 118.4 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 171.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.39 -8.57 78.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.05 152.18 45.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.546 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.04 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -147.97 157.1 43.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.3 p -151.57 151.75 31.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -139.86 127.35 21.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.48 130.02 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.7 mtm -121.28 132.62 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 47.7 mm-40 -130.1 143.37 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 148.41 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.84 -35.6 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -87.11 -2.61 58.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.54 20.02 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -86.74 -21.53 26.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -159.88 164.39 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.56 171.43 44.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.63 148.82 51.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -108.94 128.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.21 133.26 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.55 147.67 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.03 165.84 33.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.432 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -136.44 148.97 48.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.769 0.318 . . . . 0.0 111.119 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -81.61 143.47 31.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -114.47 -27.76 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -151.38 136.25 17.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.5 t -141.43 125.9 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -133.78 102.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 51.83 30.19 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 162.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 62.39 14.76 7.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.847 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -110.11 -40.02 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.927 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -133.38 120.43 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 pt -138.87 147.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.6 140.82 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.405 ' CZ ' ' HB1' ' A' ' 88' ' ' ALA . 51.9 p90 -144.73 162.65 36.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.74 143.56 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 50.0 p90 -136.89 103.36 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.57 -128.05 29.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.569 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -97.47 21.15 10.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -134.88 170.93 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -135.04 158.43 44.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' HE1' ' A' ' 83' ' ' PHE . . . -145.69 151.29 37.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -136.54 132.28 35.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG23 HG23 ' A' ' 103' ' ' VAL . 61.8 t -115.63 130.69 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -123.72 142.16 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.84 122.79 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.0 tp -110.91 122.88 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.999 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -87.19 119.58 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.506 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -117.58 158.13 46.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 111.146 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.7 Cg_endo -63.67 -25.69 68.9 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.1 -23.89 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.506 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.61 -173.37 46.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -177.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.1 128.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.4 m -101.62 130.23 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.5 t -112.88 122.04 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 127.46 53.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.431 HG23 HG23 ' A' ' 90' ' ' VAL . 60.7 t -118.74 121.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.7 t -124.26 129.75 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -141.39 158.85 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -174.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.41 131.15 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.13 48.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -92.81 160.62 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.2 p -82.1 -25.45 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -85.36 -16.38 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -127.5 120.93 22.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.7 0.762 . . . . 0.0 110.971 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.32 142.9 67.41 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -55.85 -42.43 70.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.77 -35.65 77.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -71.71 -35.57 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.08 -47.21 83.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.62 -42.5 95.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.4 71.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.02 -40.14 71.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.68 0.276 . . . . 0.0 110.886 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -63.88 -39.89 95.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.12 -36.05 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -46.41 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.36 -38.99 85.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.05 -39.43 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.51 -43.83 96.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.79 -42.54 93.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.72 -48.21 81.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.24 -33.61 76.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -69.65 -42.17 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.0 -40.19 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 172.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.75 -32.73 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -85.23 -23.18 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -99.99 -12.34 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.0 tp -148.98 126.89 11.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -47.71 111.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -176.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -161.7 113.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 176.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -107.18 119.19 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.97 135.51 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -125.86 140.42 52.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.14 150.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -128.18 140.03 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -170.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -142.72 150.15 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -124.74 127.56 47.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.75 149.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.24 68.67 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.42 22.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.504 0.668 . . . . 0.0 111.137 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -55.12 144.54 69.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.289 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.53 -47.81 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -174.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -41.86 99.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.44 -40.49 89.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.4 t -67.93 -43.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -59.27 -44.78 92.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.16 -41.76 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.98 -22.44 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -46.89 -48.26 21.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -128.83 79.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.06 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -124.56 147.9 57.1 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 161.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.501 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 21.0 Cg_endo -58.35 -36.13 97.94 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 175.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -44.3 90.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.34 -38.45 35.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.4 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -63.81 -15.34 58.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -98.97 -38.79 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -83.55 -23.02 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -76.37 179.34 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -28.66 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -47.9 112.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.3 p -165.08 -167.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -166.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.7 -8.36 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 172.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.83 5.6 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.3 m95 62.95 30.58 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.62 141.57 28.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.8 m -94.99 118.77 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.131 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.417 ' OG1' ' HB3' ' A' ' 32' ' ' ALA . 98.9 m -125.48 132.5 52.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.71 130.89 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.501 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -135.23 150.58 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -170.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.0 m -132.57 131.02 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.092 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.05 129.59 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.057 -169.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.58 108.39 19.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 164.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.6 mt -85.16 88.77 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ptt85 -163.14 157.59 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.1 118.79 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.79 -11.23 72.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.74 153.88 44.58 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.68 153.29 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -143.84 155.05 43.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -150.07 144.14 25.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -175.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -138.96 130.06 26.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -112.64 131.47 55.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.3 ttp -122.3 134.11 54.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -133.06 147.64 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.825 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.91 150.73 45.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.21 -35.92 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -175.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.35 -2.29 58.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.5 79.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -85.06 -20.51 30.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 ptp -156.98 160.08 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.71 164.32 37.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 173.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -132.38 141.68 48.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -104.81 119.36 38.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -111.27 138.63 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.53 148.64 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.4 166.16 32.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.3 m -134.71 141.57 46.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.137 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -81.11 140.87 34.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -116.25 -29.93 6.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -151.3 135.18 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -138.88 124.98 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.23 101.11 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.86 31.89 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 160.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.25 18.36 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.78 -45.85 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.17 141.36 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.42 ' O ' HG23 ' A' ' 79' ' ' ILE . 19.4 tt -147.54 126.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -121.92 139.98 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -150.77 165.05 34.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.14 132.45 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.094 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -122.15 98.53 5.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.79 -124.77 29.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.541 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -95.2 18.62 11.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.93 174.19 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.6 p -133.03 156.56 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.91 148.02 36.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -137.21 130.06 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.0 134.49 63.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -122.23 139.88 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -116.11 120.55 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 125.64 54.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.996 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.65 122.69 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -117.91 158.17 46.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.535 0.683 . . . . 0.0 111.109 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.43 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 43.0 Cg_endo -64.31 -25.26 64.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -96.65 -21.71 17.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.478 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 175.7 -172.04 45.08 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.33 128.15 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 111.048 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.7 m -101.12 130.53 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.94 121.66 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.01 123.95 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -175.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -116.98 121.85 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -123.54 127.92 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -143.31 160.13 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.4 t -81.89 130.95 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.64 142.72 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.453 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.5 tt0 -96.73 131.14 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -20.73 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.453 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 96.6 mt-10 -78.7 -18.26 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -128.52 138.88 34.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.689 0.757 . . . . 0.0 110.883 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 141.55 80.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.28 -43.32 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.12 -39.83 93.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -73.21 -35.05 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.15 -49.25 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.13 -41.42 86.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.11 -47.69 78.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -70.8 -39.0 73.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.94 -40.95 99.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.93 84.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.023 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.79 -48.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.18 -34.96 79.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.23 -34.74 78.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -58.53 -40.2 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 127' ' ' PHE . 1.5 m-30 -55.74 -51.27 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.35 -42.91 99.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.17 -35.22 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -76.76 -38.08 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.48 -46.42 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.06 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -79.37 -24.76 42.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -107.67 -8.01 16.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.7 tt -143.33 115.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -49.8 109.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -165.11 114.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 178.492 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -108.34 122.51 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -108.52 128.77 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.3 m -120.89 131.25 54.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.67 142.63 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.62 140.64 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -147.89 132.24 17.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -98.38 128.49 44.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.52 -16.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.919 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 59.26 58.23 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 175.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.05 162.77 46.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.02 141.24 79.57 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 0.0 112.288 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.66 -49.79 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.35 99.89 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.481 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.84 -41.77 95.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.11 -45.39 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.42 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.2 m0 -66.22 -41.37 90.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.95 -33.29 75.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.52 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.481 ' CD2' HG21 ' A' ' 21' ' ' THR . 39.9 t80 -56.34 -47.19 79.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -175.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.481 HG21 ' CD2' ' A' ' 20' ' ' TYR . 45.3 p -129.47 72.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.9 m -122.03 126.47 26.3 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 158.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.96 -39.47 40.38 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.53 -34.97 79.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.44 -39.74 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.839 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.48 -35.23 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.96 -16.48 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -76.24 -23.51 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -101.54 -14.22 17.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -116.39 176.16 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.0 24.71 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.02 25.63 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.5 p -77.75 157.41 30.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -174.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -71.13 -16.11 62.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.926 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -91.42 8.27 37.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.5 m-90 60.7 54.34 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -101.37 145.94 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -108.42 139.84 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.7 m -122.08 137.43 54.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -170.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.24 132.12 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.77 134.63 50.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -123.51 129.64 51.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 130.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.19 105.02 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -81.88 99.21 8.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -169.34 160.23 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.07 110.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -0.59 65.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.421 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.26 149.89 34.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.06 147.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -174.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -131.83 141.92 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 168.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 t -144.05 139.5 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -135.42 121.41 19.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.74 128.18 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.37 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -131.63 144.06 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.47 143.92 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.28 -34.6 61.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -90.36 -0.43 57.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.44 77.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -94.22 -31.73 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 71.4 mtm -125.21 168.55 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -170.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.96 166.08 31.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.566 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.02 141.9 36.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -112.99 106.7 15.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -110.27 134.34 52.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.41 144.88 34.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.81 167.73 33.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -133.31 137.79 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.79 134.15 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.0 p -109.57 -23.06 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -158.63 135.22 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.5 t -138.06 127.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -127.5 99.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.71 36.68 14.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 165.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.42 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 76.1 m-20 57.56 24.5 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 175.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.73 -39.87 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -130.49 112.24 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.92 125.1 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.03 134.36 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.4 168.32 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.28 133.71 55.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -126.0 107.55 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 -124.25 33.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -173.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.29 4.42 54.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.957 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -108.11 166.68 10.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 152.32 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 170.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.1 151.36 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.09 130.05 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 103' ' ' VAL . 91.2 t -111.78 127.8 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.31 146.01 49.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -117.07 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 tp -114.65 125.34 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.87 119.69 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -110.38 159.06 33.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 175.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 37.2 Cg_endo -63.48 -25.37 70.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.294 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -99.44 -31.0 11.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.919 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . -177.02 -156.37 15.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.426 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.32 131.22 55.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.162 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.2 m -99.07 123.33 43.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.7 t -106.94 122.33 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -119.1 124.0 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.401 HG23 HG23 ' A' ' 90' ' ' VAL . 61.9 t -122.73 126.13 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 t -125.6 130.05 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -144.22 161.23 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 -172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.91 135.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.88 97.63 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -50.76 161.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.8 p -75.8 -17.63 59.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.198 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.89 -30.56 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -172.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.22 142.06 41.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.804 0.811 . . . . 0.0 110.816 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.89 141.52 77.55 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.693 2.262 . . . . 0.0 112.376 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.71 -45.66 82.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.0 -43.44 98.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.69 -38.15 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -70.68 -38.7 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.38 -46.05 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.41 -35.11 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.42 77.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.495 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.73 -33.71 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -61.26 -43.69 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.53 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.69 -47.84 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.42 -33.79 73.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.23 -43.3 98.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -38.42 90.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.07 -45.89 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.65 -43.86 98.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.54 -35.1 79.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -67.7 -42.04 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.11 -42.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.8 p -78.34 -22.65 47.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -105.05 -4.24 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.65 114.97 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 51.91 56.92 7.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.74 131.03 49.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -177.675 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.48 122.15 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.4 ' HB ' ' CE2' ' A' ' 105' ' ' PHE . 4.3 mp -112.61 130.49 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.7 m -119.43 132.38 55.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.26 140.04 50.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -130.07 137.43 50.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -148.47 134.39 19.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.092 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -101.24 125.69 47.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.97 -15.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 60.33 56.21 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 174.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.574 ' HB2' ' HD2' ' A' ' 12' ' ' PRO . . . -143.85 162.2 42.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 36.9 Cg_endo -64.61 144.44 84.46 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.72 -48.41 87.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -168.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.83 99.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.475 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.22 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.817 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.1 -41.46 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.539 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 7.4 m95 -61.64 -41.37 97.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.31 -42.0 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.05 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.544 ' CD2' HG21 ' A' ' 21' ' ' THR . 32.2 t80 -57.43 -40.18 77.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.544 HG21 ' CD2' ' A' ' 20' ' ' TYR . 60.1 p -130.66 69.26 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 175.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -117.95 126.57 27.2 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.567 0.698 . . . . 0.0 111.114 154.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.56 -38.19 53.12 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.784 2.322 . . . . 0.0 112.287 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.84 -35.88 82.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -70.96 -36.61 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.72 -38.45 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.21 -17.12 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -72.72 -33.35 66.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -171.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -109.92 -18.23 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -88.79 177.79 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 57.97 29.83 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -173.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -125.07 26.54 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.2 p -75.91 157.23 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -72.56 -17.2 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -86.17 5.07 35.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 60.07 59.39 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -101.27 140.82 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -123.91 132.03 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -169.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.13 133.23 54.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 171.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.08 134.47 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -174.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -128.97 127.8 42.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.19 132.86 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -117.99 110.22 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 165.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.51 99.74 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -170.08 158.39 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.46 111.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 171.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.32 -3.59 66.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.18 147.07 38.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.434 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.41 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.104 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -132.52 143.85 50.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 170.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -140.71 138.21 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.7 t -131.41 118.94 20.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.88 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.7 115.02 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -119.21 126.24 51.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.61 148.78 42.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.83 143.92 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -53.48 -34.96 59.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -90.1 -0.06 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.24 21.54 75.8 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -85.29 -29.02 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -158.9 164.88 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -173.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.12 169.0 40.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 171.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.83 142.83 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -106.37 117.9 35.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.23 138.92 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.83 146.86 39.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.038 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.74 163.94 30.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.434 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -137.46 140.15 41.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 56.0 m-85 -79.68 137.72 37.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -113.53 -29.12 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -151.67 133.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -136.75 126.32 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.69 101.5 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.76 33.48 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 161.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.97 30.7 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -118.28 -48.96 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -132.07 126.58 34.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.16 129.7 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.8 137.0 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.447 ' HE1' HG21 ' A' ' 90' ' ' VAL . 52.5 p90 -150.3 167.55 26.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -174.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.83 135.63 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -125.05 101.69 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.02 -124.07 27.54 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -91.46 -2.22 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.904 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -104.51 169.2 8.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.99 154.85 46.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.05 152.2 31.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -135.79 129.83 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 103' ' ' VAL . 91.1 t -111.85 128.04 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -128.27 141.64 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -109.73 129.73 55.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 168.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.44 119.6 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.594 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -107.67 162.75 18.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.517 0.675 . . . . 0.0 111.137 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.594 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 35.4 Cg_endo -62.17 -24.69 76.5 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.719 2.279 . . . . 0.0 112.298 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -98.61 -34.92 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.747 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . 179.55 -159.41 23.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -178.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.5 t -90.41 131.03 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.14 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -98.54 123.44 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 165.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.17 122.22 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 -172.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -118.82 122.46 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.473 HG23 HG23 ' A' ' 90' ' ' VAL . 61.3 t -124.43 126.55 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -120.25 130.03 54.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.4 ' CE2' ' HB ' ' A' ' 3' ' ' ILE . 38.1 p90 -141.58 155.1 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -171.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.83 140.53 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.65 90.71 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -45.81 153.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -65.31 -21.88 66.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -78.94 -21.2 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -111.36 112.62 54.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 111.019 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.92 142.6 63.68 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.348 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.65 -44.01 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.35 -42.17 98.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -39.95 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -71.78 -42.11 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -56.97 -50.24 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -71.12 -40.05 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.22 -49.31 62.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -69.35 -36.68 77.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.681 0.276 . . . . 0.0 110.936 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -63.65 -40.42 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.02 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.12 -45.26 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.94 -37.55 84.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -41.36 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.13 -41.34 94.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.61 -44.73 90.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.88 -34.52 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -71.19 -39.71 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.33 -41.95 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -39.41 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -76.63 -19.79 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -99.63 -5.28 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.3 tp -148.69 112.53 5.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 45.43 60.41 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.86 130.01 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -177.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -109.83 129.95 55.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.8 mt -112.34 130.43 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.8 m -127.96 130.95 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 142.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.76 144.04 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.89 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p -140.19 141.52 35.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 m -120.09 129.12 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.18 149.39 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' HB1' HD13 ' A' ' 135' ' ' LEU . . . -85.65 60.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.684 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -140.08 147.76 51.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.115 -178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.09 142.86 82.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.323 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.08 -42.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 -173.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.9 71.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -68.59 -40.23 80.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.25 -55.68 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -170.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -65.33 -34.2 77.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -63.23 -43.65 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.881 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.74 60.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -45.4 -45.42 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.0 m -135.76 84.82 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.2 p -123.48 144.19 43.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.488 0.661 . . . . 0.0 111.153 161.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -61.55 -36.95 73.68 Favored 'Trans proline' 0 C--O 1.23 0.112 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.98 -43.62 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 ' HA ' ' HB2' ' A' ' 29' ' ' TRP . 84.4 mt -63.87 -31.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -175.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -47.03 -36.71 8.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 173.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.84 -6.25 56.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.405 ' HB2' ' HA ' ' A' ' 26' ' ' ILE . 54.2 m0 -102.03 36.31 2.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -118.24 122.46 43.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -167.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.06 -19.51 64.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 167.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.59 178.42 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 173.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.0 p -70.47 157.02 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.09 -5.17 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -112.27 -42.02 3.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -167.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.446 ' HA ' ' HB3' ' A' ' 58' ' ' LYS . 98.8 m95 -116.6 39.63 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -172.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -133.19 127.4 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 174.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.8 m -109.03 133.56 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.7 m -120.65 135.55 55.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.67 140.99 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.29 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -134.59 129.32 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.47 129.26 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -172.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -112.12 102.0 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.846 166.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.3 tp -82.55 101.61 10.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -168.92 159.51 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.9 111.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 174.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.0 78.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.7 149.85 40.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -142.76 154.94 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 169.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -149.9 146.63 27.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -132.75 122.88 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.24 127.45 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.5 mtt -116.53 126.45 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -128.51 144.44 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.12 123.65 24.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 36' ' ' TRP . 87.9 tttt -50.29 -32.47 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -84.06 -1.94 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.51 15.15 81.41 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.7 p -83.57 -33.16 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.864 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.0 ptp -158.8 164.15 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -172.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.7 163.42 37.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.23 144.27 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -111.91 120.72 42.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.23 136.27 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.59 147.99 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.7 33.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.51 172.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.9 m -130.85 139.73 50.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -78.85 142.8 36.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -112.76 -27.51 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.72 137.35 12.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -140.67 123.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -129.47 100.54 5.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.82 30.44 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 163.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 58.25 22.63 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -109.85 -40.17 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -135.53 125.12 25.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -137.52 124.89 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -124.14 136.95 54.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 50.4 p90 -149.76 164.99 33.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.951 -174.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.49 135.46 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -125.06 100.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.25 -121.35 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -98.41 15.23 25.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 72.5 mtm180 -128.79 174.35 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.2 p -130.0 155.31 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -150.17 148.6 29.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -139.82 133.57 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.69 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.16 143.04 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -119.35 120.86 38.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.64 124.62 52.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -89.28 117.57 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.775 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -111.81 159.79 32.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.087 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.466 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 43.3 Cg_endo -64.44 -25.67 63.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 176.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.98 -22.69 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.32 -171.51 44.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.89 129.49 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 111.028 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.2 m -104.98 130.72 53.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.58 127.0 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -113.1 120.07 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -121.94 124.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.7 t -129.51 131.02 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -136.52 154.68 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.785 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.402 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 94.3 t -75.03 130.32 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 173.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.92 139.71 52.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.43 127.46 35.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.0 p -62.69 -24.8 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.35 -14.88 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 97.8 m-85 -126.57 142.66 43.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 54.3 Cg_exo -55.06 135.98 71.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.32 -42.5 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.09 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -36.69 84.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.35 -50.55 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.75 -39.76 73.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.14 -51.95 45.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -65.54 -31.61 72.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 110.943 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -63.66 -45.2 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.68 -36.71 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.23 -47.77 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.54 -31.37 70.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.37 -35.44 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.87 -38.8 92.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.49 ' N ' ' HD1' ' A' ' 127' ' ' PHE . 3.0 m-30 -60.0 -44.59 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.93 -51.7 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.78 -34.0 77.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.72 -46.62 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.74 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.56 -42.62 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 174.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.51 -34.38 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -72.16 -15.52 61.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -99.23 6.49 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 11' ' ' ALA . 90.0 mt -94.96 -11.05 29.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.14 125.73 25.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.01 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -84.34 -62.41 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 -178.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -110.15 122.17 47.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.404 HG21 ' HA ' ' A' ' 117' ' ' GLN . 89.2 mt -113.11 128.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -127.12 132.94 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.58 142.14 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -116.38 141.44 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -135.59 135.96 40.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.4 m -116.32 125.02 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.17 148.56 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.05 63.46 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -140.34 140.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 111.057 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.84 142.24 33.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.717 2.278 . . . . 0.0 112.387 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.24 -42.8 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.88 -42.59 69.99 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.05 -38.76 75.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.77 -54.78 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -44.93 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 -17.81 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.428 ' CD2' HG21 ' A' ' 21' ' ' THR . 77.6 t80 -46.3 -54.11 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' CD2' ' A' ' 20' ' ' TYR . 13.5 p -135.14 80.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -110.04 146.99 35.32 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.141 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 81.3 Cg_exo -50.05 -45.72 31.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.624 2.216 . . . . 0.0 112.338 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -57.89 -44.24 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.02 -34.97 64.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.03 -30.14 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -46.53 -32.84 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -81.51 -19.9 41.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -91.19 27.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -124.5 116.55 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -164.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.33 -17.02 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' ' CG ' ' A' ' 37' ' ' HIS . . . -69.03 154.63 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.5 p -78.18 160.28 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -82.29 -7.3 59.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -111.36 -52.33 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.952 -170.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -101.51 11.5 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.425 ' CG ' ' HB2' ' A' ' 32' ' ' ALA . 73.4 m80 -137.08 139.63 41.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 174.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.7 m -100.1 129.69 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 170.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -118.41 130.03 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.42 141.66 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 172.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 23' ' ' PRO . . . -140.45 152.12 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -137.78 130.11 29.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 167.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -127.26 127.35 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -101.71 110.22 22.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 167.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.8 91.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -167.48 156.48 9.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.1 117.38 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.1 -10.76 74.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.482 -175.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 149.89 48.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.99 153.56 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.93 154.99 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 170.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -150.4 146.18 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -136.85 127.22 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -104.23 129.99 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.899 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -124.81 119.26 28.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -129.07 144.82 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -169.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.68 125.32 26.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -54.77 -33.33 61.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -83.07 -0.84 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.08 16.26 80.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 166.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -84.8 -30.07 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -158.38 164.8 35.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -173.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.83 158.93 31.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.405 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -132.53 141.37 48.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -111.95 123.03 49.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.26 134.95 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.2 162.97 30.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.6 m -139.19 143.42 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -79.28 141.12 37.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -114.99 -29.97 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -153.7 135.83 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -140.51 123.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.98 98.97 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -177.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.0 30.45 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 166.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 58.45 22.87 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -110.78 -43.91 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.71 123.3 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.5 mt -137.67 124.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -121.62 138.81 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.25 166.15 30.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.51 133.23 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -125.39 104.1 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.96 -126.3 31.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -97.35 19.89 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.87 174.18 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -132.38 157.81 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 153.8 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -142.47 137.21 30.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.95 137.58 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -122.98 143.29 50.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.86 123.56 47.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 128.05 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -82.88 120.22 25.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.534 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -103.53 161.81 21.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.534 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 56.7 Cg_endo -68.92 -29.93 27.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -100.78 -10.18 21.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.97 -167.08 37.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.405 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.0 t -121.69 131.75 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -110.04 138.89 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.62 130.58 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.16 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -116.09 119.99 37.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -122.3 128.39 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -122.58 133.83 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -118.86 153.41 34.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.51 128.18 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 160.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.57 152.19 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -79.99 151.94 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.9 p -88.4 -24.75 22.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.46 -10.55 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -128.59 145.99 58.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.87 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.02 145.61 74.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.92 -31.74 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.51 -43.95 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.84 -39.42 90.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -66.37 -48.35 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -60.9 -47.7 85.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -175.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.63 -38.59 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -49.22 63.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -68.72 -35.27 76.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.659 0.266 . . . . 0.0 110.885 -177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -65.04 -44.0 90.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.89 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.056 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.18 -44.27 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.64 -32.39 73.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.92 -38.59 91.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.7 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -57.71 -51.87 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.86 -36.48 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.15 -47.98 80.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.733 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.69 -45.1 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.75 -36.96 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -69.35 -17.97 63.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -99.98 3.27 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 11' ' ' ALA . 96.3 mt -96.0 -6.06 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 176.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.6 129.58 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -95.88 -55.12 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 CA--C 1.526 0.025 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -109.94 128.25 55.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.7 mt -112.13 129.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.0 m -125.33 134.54 52.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.27 142.71 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -121.23 141.68 50.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -139.09 138.67 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -120.52 128.5 53.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 m -127.95 149.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.79 64.15 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.409 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -141.14 150.1 57.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 111.087 -177.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.39 141.12 73.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -52.4 -41.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.65 -43.07 68.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.76 -36.24 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.961 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.58 -55.14 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -67.71 -33.69 75.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.65 -43.06 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -19.83 61.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -48.71 -42.18 34.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -136.69 80.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.2 p -119.78 144.98 38.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.563 0.696 . . . . 0.0 111.159 162.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.17 -36.48 80.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.52 -43.77 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -69.89 -40.62 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.4 mt -62.43 -34.37 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -49.93 -35.91 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -80.72 -22.48 40.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.978 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -88.28 -26.68 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 31' ' ' ALA . 47.9 t-20 -73.3 144.26 46.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 170.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 30' ' ' ASN . . . -91.17 -1.07 57.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 155.7 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 173.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 p -68.88 163.71 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.83 2.92 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -105.24 -36.19 7.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -130.12 29.81 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -58.08 120.03 7.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -124.98 89.53 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.7 m -135.67 140.42 44.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 171.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.05 131.1 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.36 138.44 47.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.3 m -130.41 129.67 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -130.31 125.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 -173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.93 104.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.818 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 tp -82.84 100.7 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -167.95 159.73 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.17 111.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.47 -5.09 80.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.46 151.0 37.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 152.42 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 111.01 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -143.19 155.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -152.89 146.15 24.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -141.09 127.7 20.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -109.87 129.93 55.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.13 135.38 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -129.18 145.99 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 146.61 54.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.68 -34.57 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.48 -0.8 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.38 77.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -86.23 -22.01 27.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -159.99 165.15 32.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.07 170.05 42.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -134.95 144.66 47.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -106.81 120.08 41.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 137.51 48.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.25 147.74 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.23 168.24 33.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -131.56 139.37 49.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 111.132 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -77.27 142.09 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.5 p -112.9 -27.03 8.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -157.21 136.24 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -140.26 123.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.089 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -129.78 101.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 53.38 30.51 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 164.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 58.91 20.57 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.784 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -110.15 -40.02 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -130.19 119.85 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.4 mt -135.8 118.46 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.92 138.66 53.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.407 ' CE1' ' HB1' ' A' ' 88' ' ' ALA . 47.4 p90 -149.86 165.05 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -174.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.97 133.15 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -177.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -125.08 100.07 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -123.97 27.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -96.3 15.44 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -134.67 175.03 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -131.62 156.07 46.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.407 ' HB1' ' CE1' ' A' ' 81' ' ' TYR . . . -149.54 150.5 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 178.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -137.14 135.85 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.0 134.33 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -125.1 142.69 51.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -118.08 124.16 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 tp -115.06 124.15 50.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -88.31 118.84 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.509 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -113.51 158.97 37.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.579 0.704 . . . . 0.0 111.07 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 41.0 Cg_endo -64.4 -25.37 63.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.81 -24.72 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.989 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.509 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 178.45 -171.69 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -114.04 127.93 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 111.14 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 m -104.44 129.7 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.15 124.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -112.81 121.16 43.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.49 124.05 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.1 t -127.61 132.49 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -137.58 155.29 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.1 t -83.58 132.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.98 145.75 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.411 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 89.0 tt0 -92.25 129.0 38.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 175.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.9 p -66.11 -21.29 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 74.4 mm-40 -72.79 -12.76 61.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.3 m-85 -128.08 142.18 43.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.709 0.766 . . . . 0.0 110.869 179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 53.7 Cg_exo -54.99 136.49 73.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 178.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.66 -42.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.25 -41.48 96.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.51 -37.22 86.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -70.71 -42.55 70.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -61.58 -51.93 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.32 -39.39 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.7 48.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -66.02 -33.23 75.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.655 0.264 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -63.75 -45.36 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.96 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.45 -46.42 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.2 mp -68.75 -33.7 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.61 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -60.62 -42.45 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -58.82 -48.35 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.1 -34.87 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -63.54 -39.83 95.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.4 -44.93 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 172.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.27 -32.38 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -67.48 -20.03 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.23 6.06 42.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 11' ' ' ALA . 97.5 mt -103.9 11.9 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 175.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 128.94 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -84.72 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 175.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.811 0.338 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.6 120.82 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.05 130.67 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -124.84 129.85 51.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.8 t -134.81 141.22 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -122.91 145.96 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -146.81 140.1 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -115.44 125.29 52.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.34 149.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 63.61 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.401 ' HB3' HG13 ' A' ' 131' ' ' VAL . . . -142.05 149.0 50.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -65.1 141.3 69.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.8 -40.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.06 -42.75 82.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -74.02 -34.02 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.983 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.51 -53.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 -172.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -67.01 -30.87 71.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.69 -45.32 79.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.73 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -45.47 -43.59 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -134.7 87.17 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -121.29 149.7 52.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.131 163.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.434 ' HD3' ' HB1' ' A' ' 41' ' ' ALA . 48.0 Cg_endo -63.58 -33.19 68.5 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.26 -45.07 96.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 175.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.82 -44.53 69.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.72 -39.83 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -176.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -50.31 -27.94 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.89 -18.15 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.06 -24.59 30.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -73.12 155.79 39.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.56 -12.96 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.72 170.71 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.5 p -69.09 164.66 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -172.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -88.24 -0.66 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -113.22 -40.89 3.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -164.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -125.1 26.25 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -174.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -98.65 123.59 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m -94.93 111.48 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.6 m -128.63 131.89 48.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.78 41.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' ' HD3' ' A' ' 23' ' ' PRO . . . -138.72 138.57 37.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -133.89 129.17 36.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.04 134.99 61.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -111.01 100.67 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 166.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -80.52 99.66 8.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -168.88 159.75 9.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.78 111.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.91 -8.5 76.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.05 150.54 41.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.526 -177.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.56 155.4 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -174.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.1 155.03 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 170.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -152.71 145.29 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -142.71 129.91 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -105.56 128.65 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mtt -119.19 134.76 55.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -128.32 147.09 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 146.76 54.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -58.4 -32.93 69.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -90.25 -1.01 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.62 76.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -159.99 165.02 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.93 170.82 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -136.97 149.95 47.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -105.62 119.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -104.36 132.33 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.35 141.91 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.32 170.76 34.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.57 138.89 50.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 111.154 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -76.05 140.83 42.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.9 p -111.43 -27.67 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -158.5 136.18 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.03 125.39 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.15 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.5 99.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.44 32.11 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 164.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.73 21.23 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -109.94 -40.1 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -131.17 119.98 22.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.3 mt -133.22 117.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.17 137.71 54.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.438 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 38.5 p90 -149.16 163.18 38.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -174.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.81 143.99 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -137.53 103.7 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.47 -119.97 12.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.5 8.79 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mtm105 -116.4 166.81 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.6 p -129.95 157.81 41.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.438 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -149.98 146.14 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 175.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -138.91 134.13 32.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.97 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.58 133.71 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -124.88 147.23 48.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -120.06 126.59 51.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.02 122.16 46.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -86.0 120.33 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -118.34 158.46 46.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.086 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 39.0 Cg_endo -63.71 -24.99 68.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.67 -25.72 15.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.532 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 178.59 -169.57 41.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -176.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.02 128.06 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 111.065 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.9 m -101.65 130.0 47.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.63 124.19 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -113.1 121.67 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.19 125.02 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.156 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -128.01 126.88 42.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -143.05 159.28 42.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -171.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -83.62 133.61 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.27 141.8 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -74.12 124.89 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.8 p -66.64 -25.85 66.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.89 -17.06 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.74 155.02 75.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.713 0.768 . . . . 0.0 110.894 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 139.76 83.98 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.261 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.46 -43.98 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.057 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.32 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.12 -39.0 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.23 -39.95 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.63 -47.26 86.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.98 -36.07 82.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.81 -48.97 71.59 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.689 0.281 . . . . 0.0 110.917 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.3 -43.22 98.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 176.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.34 87.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.42 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.87 -34.4 73.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -65.5 -40.8 93.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.11 -36.92 82.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.92 -45.64 86.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.54 -44.01 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.41 -35.01 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -64.5 -43.16 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 11' ' ' ALA . 54.0 t -59.3 -43.65 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 175.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.95 -36.95 85.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.4 p -85.78 -22.77 27.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -93.26 -13.05 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.77 32.89 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 130.03 44.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -72.64 -67.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -108.84 126.75 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.95 129.53 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -122.09 131.4 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -133.38 141.36 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.98 144.63 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -145.77 138.73 25.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -116.61 128.58 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -173.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.16 148.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.59 63.7 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.77 148.31 52.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.086 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.34 140.9 72.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.764 2.309 . . . . 0.0 112.322 176.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -52.38 -41.52 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.12 -43.99 73.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.06 -33.81 70.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.8 -54.46 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -70.73 -30.96 67.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -64.86 -43.87 91.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.31 -18.17 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -53.17 -41.67 65.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -174.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 p -135.65 79.85 1.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 p -124.48 147.49 55.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.058 158.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.93 -37.43 65.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.44 -38.67 90.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.34 -43.75 26.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.77 -39.5 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -172.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -61.47 -18.4 58.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.44 -23.11 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -87.25 -21.04 26.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -170.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -72.4 156.5 39.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.903 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.43 3.22 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -172.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.72 160.29 9.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.053 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -65.61 160.02 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -171.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -79.97 -4.87 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -104.71 -35.0 7.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -170.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -130.12 30.39 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -56.47 120.46 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 m -122.83 87.76 2.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.7 m -135.16 133.48 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.8 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.71 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 171.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.68 126.17 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -93.37 108.58 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.09 84.0 7.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -169.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -165.19 156.96 15.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.01 119.66 8.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.54 -8.29 78.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.36 152.51 48.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.05 150.71 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.011 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -144.77 158.82 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.7 p -153.39 154.89 35.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -137.13 126.07 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -103.9 113.0 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.1 mtt -120.27 134.92 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.84 153.95 48.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.97 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.12 151.81 46.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.95 -34.36 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -91.07 -0.34 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.67 21.65 76.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.44 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.3 p -85.23 -20.62 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -160.0 163.9 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.65 169.66 42.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.23 140.78 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.69 117.78 35.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -105.95 137.56 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.56 145.28 34.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.95 34.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.426 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 m -136.19 143.34 44.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.58 140.35 42.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.0 p -114.2 -28.85 7.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.88 134.36 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.6 t -138.24 124.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.91 99.08 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.05 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 52.99 29.83 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 58.07 23.32 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -108.14 -42.48 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.99 124.45 29.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.0 mt -134.82 127.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.08 135.31 54.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.47 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 48.5 p90 -150.94 166.42 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -173.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.7 133.13 55.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -119.54 98.08 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -174.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.94 -124.47 23.55 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -89.88 6.73 40.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 83.4 mtm180 -119.3 175.21 5.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.8 p -127.26 156.24 42.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.47 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -151.14 147.47 27.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -138.61 131.46 29.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.28 135.14 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.31 142.61 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -116.23 121.04 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.28 128.01 56.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -83.44 121.19 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -112.42 159.28 34.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.504 0.668 . . . . 0.0 111.126 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.3 Cg_endo -63.87 -29.01 67.46 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.28 -24.87 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.462 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -175.28 -163.94 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -175.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.26 129.7 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 111.122 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.9 m -101.44 129.96 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.82 124.32 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -115.9 120.65 39.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.85 124.04 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t -123.95 129.01 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -142.14 159.02 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.43 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.1 t -77.39 135.81 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.72 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -76.46 128.46 34.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.9 p -69.01 -25.93 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.15 -14.45 60.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.08 147.13 58.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.705 0.764 . . . . 0.0 110.887 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.05 141.34 79.52 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.28 -33.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.58 -39.24 84.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.4 -41.77 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.36 -43.44 66.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.7 -49.79 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.57 -40.95 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.65 71.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.754 0.312 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.65 -39.88 95.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.05 78.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.68 -43.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.05 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -67.05 -35.94 80.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.69 -47.78 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 171.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.93 -50.24 74.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.4 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -62.22 -44.26 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.25 -43.94 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 174.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.02 -33.49 74.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -74.61 -20.41 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -100.74 -9.03 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.6 35.27 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.59 124.26 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -99.94 -52.47 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 -175.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -110.3 124.66 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.4 127.76 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.3 m -121.83 130.93 53.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -134.72 142.24 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.59 142.49 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -140.54 128.8 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.2 m -102.06 126.69 49.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.24 147.85 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.28 65.41 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.86 148.56 52.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.66 138.51 64.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.2 -33.4 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.148 -166.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.72 97.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.91 -30.8 65.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.9 -55.16 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -73.73 -26.98 60.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.32 -45.0 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.06 -22.95 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.147 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -58.9 -32.67 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.3 p -123.59 71.22 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.123 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -122.88 156.02 62.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 111.123 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -61.43 -28.4 83.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.607 2.205 . . . . 0.0 112.328 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -70.15 -43.16 71.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 173.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.38 -45.01 70.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 ' HB3' ' A' ' 41' ' ' ALA . 10.9 tp -57.73 -28.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -175.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.37 -27.8 64.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.971 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -85.09 -4.99 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -88.88 16.1 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -129.34 149.09 51.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -173.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -3.04 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.28 173.3 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.9 p -65.56 160.18 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -83.89 -8.85 59.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -113.07 -38.15 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -166.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -120.42 41.35 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -173.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -117.43 128.22 54.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.9 m -119.06 120.01 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -132.95 128.62 36.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.86 132.42 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HB3' HG21 ' A' ' 26' ' ' ILE . . . -130.51 133.9 46.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -122.64 125.97 46.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 169.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.37 123.92 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -171.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -102.49 106.29 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 167.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.85 89.52 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -173.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -164.84 158.79 17.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.11 118.1 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.02 -6.08 82.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.04 158.65 52.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.69 152.09 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.88 156.88 45.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 171.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -151.46 142.48 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -131.89 125.09 30.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.784 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -114.98 125.39 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -113.54 132.92 55.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -129.02 146.24 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.12 146.28 49.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.6 -29.3 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.917 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -95.08 -0.06 53.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.1 21.93 75.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -86.64 -24.54 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.424 . . . . 0.0 110.939 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.96 164.4 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.49 168.99 42.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.26 148.11 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -118.9 118.64 32.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.36 139.0 49.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 147.76 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.32 167.65 33.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.9 m -134.49 138.92 45.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 111.093 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -76.87 139.9 40.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -111.76 -25.14 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.86 133.01 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.76 126.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.33 100.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.29 29.66 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 57.79 22.4 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -106.19 -39.66 5.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -129.15 118.35 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -129.74 123.02 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -172.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.0 134.75 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -150.49 168.48 24.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -173.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.38 132.26 56.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.49 106.09 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.76 -126.09 29.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -97.02 11.13 37.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -119.06 170.46 9.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.0 p -124.08 153.14 41.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.81 149.28 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.03 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.46 129.76 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.7 t -121.58 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.14 143.61 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -117.13 130.81 56.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 tp -118.08 123.85 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -90.13 117.09 28.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.548 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -109.79 161.99 22.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.052 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 42.4 Cg_endo -66.82 -26.78 44.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.81 -25.67 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.466 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -173.31 -171.68 38.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.27 131.57 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.917 0.389 . . . . 0.0 111.056 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.3 m -106.68 133.54 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.68 127.92 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.163 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -114.35 123.06 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.42 123.06 69.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.197 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -125.95 123.04 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.67 159.23 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -170.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.89 133.58 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.84 133.18 47.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -62.56 129.68 41.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.7 p -73.64 -26.15 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.27 151.9 70.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.71 0.767 . . . . 0.0 110.941 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.72 145.68 81.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.271 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.66 -33.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.48 -43.38 97.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.96 -41.39 95.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.04 -50.29 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.41 -40.88 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.82 67.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -70.98 -31.07 67.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -62.72 -41.71 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 170.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.22 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.02 -46.06 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.1 -32.0 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.35 -38.54 91.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 173.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.09 -37.46 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.47 -44.78 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 173.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.66 -47.89 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 -34.89 79.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.46 -45.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.78 -31.78 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -75.09 -20.61 59.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.6 -11.57 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.77 35.21 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 130.02 40.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -81.5 -64.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -173.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 175.659 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -106.61 128.52 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -111.54 129.67 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.2 m -122.67 132.74 54.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -132.32 139.98 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -122.77 137.03 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -138.57 134.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -111.32 124.76 52.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.41 148.38 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.6 68.01 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.34 144.5 31.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.9 140.28 48.74 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.42 -43.61 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.96 92.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.82 -36.42 70.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.05 -55.77 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -66.26 -35.34 80.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -69.08 -43.08 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -19.73 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -53.73 -40.13 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -130.82 75.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -124.13 129.01 24.89 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 121.506 0.669 . . . . 0.0 111.134 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.511 ' HB3' ' HB1' ' A' ' 41' ' ' ALA . 83.2 Cg_exo -52.26 -50.13 15.04 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -58.59 -36.78 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.05 -38.33 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.67 -33.92 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HG2' ' HB ' ' A' ' 39' ' ' THR . 99.1 mttt -50.38 -32.95 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.6 -23.35 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -84.62 -19.07 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -173.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.07 133.09 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 171.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.13 -15.95 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 167.27 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.746 ' O ' ' HB3' ' A' ' 37' ' ' HIS . 86.3 p -65.29 161.29 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -171.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.81 -4.52 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.95 -37.01 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -128.7 32.39 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.746 ' HB3' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -72.87 129.35 37.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 177.76 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 97.8 m -109.7 101.17 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' HB ' ' HG2' ' A' ' 27' ' ' LYS . 93.1 m -127.71 134.39 49.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.59 123.21 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB1' ' HB3' ' A' ' 23' ' ' PRO . . . -139.79 146.33 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -176.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -131.2 130.01 42.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.68 125.36 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -170.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -104.44 108.88 20.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 166.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.23 91.63 8.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -167.04 158.24 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 117.66 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.75 -11.32 72.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.553 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.71 150.55 41.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.81 153.04 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.025 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -144.04 156.39 44.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 173.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -151.8 141.13 21.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -136.28 125.1 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -113.22 129.67 56.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.2 mtt -118.17 138.0 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 56.7 mm-40 -130.17 151.01 51.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 149.66 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -58.07 -29.85 65.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -95.1 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.34 21.15 77.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 172.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.2 p -83.3 -22.29 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.857 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.1 ptp -156.34 164.77 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -176.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.27 39.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.426 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.98 148.47 50.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -115.57 120.64 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.28 141.13 48.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.09 147.37 46.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.35 167.55 33.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -138.51 142.48 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -80.84 138.36 36.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -114.45 -26.44 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.201 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -155.11 135.29 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.8 t -139.48 125.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.039 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.26 99.2 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -175.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.58 31.45 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 166.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.65 21.95 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -111.69 -40.19 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -134.3 126.36 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -135.06 126.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.75 135.52 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.401 ' CE2' ' HB1' ' A' ' 88' ' ' ALA . 50.5 p90 -150.12 166.52 29.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -174.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.77 131.14 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -119.07 100.0 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.48 -127.68 23.64 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.402 -174.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -92.73 11.82 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -120.07 175.74 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -128.39 154.34 46.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -149.97 146.82 27.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -137.45 130.26 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.02 134.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -124.05 144.6 49.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.49 126.68 51.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.91 132.45 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.77 120.44 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -111.21 159.03 34.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.025 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 42.3 Cg_endo -64.14 -28.98 65.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -95.9 -22.42 17.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.412 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -178.94 -164.46 31.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.412 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.35 129.74 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 m -105.41 133.9 49.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -174.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.04 127.19 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.66 125.62 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.39 126.99 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.7 t -123.06 127.73 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -140.54 158.17 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -170.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.05 133.17 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.22 133.83 45.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.88 126.34 29.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.5 p -68.6 -26.81 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.58 -17.75 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -124.89 152.1 69.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 144.2 69.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.57 -44.16 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.69 -36.94 85.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.62 -42.02 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.21 -48.66 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.49 -40.15 73.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -47.63 79.97 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.4 -33.02 66.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.279 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.06 -39.4 92.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.18 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.57 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.27 -38.02 88.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.26 93.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.83 -47.24 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.74 -51.59 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.67 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.75 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.87 -45.74 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.72 -35.94 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.0 p -75.77 -20.97 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -105.23 -12.97 15.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -115.14 41.89 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.45 129.52 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -84.99 -64.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 175.601 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 99.0 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.71 137.43 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.454 HG21 ' HA ' ' A' ' 117' ' ' GLN . 4.9 mp -98.01 128.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -165.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.6 m -121.15 132.0 54.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 171.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.47 156.35 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.21 140.0 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.2 m -136.13 135.2 39.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -110.12 120.09 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.03 128.34 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.98 73.64 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB1' ' CG2' ' A' ' 16' ' ' VAL . . . -154.73 161.3 29.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.028 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 37.6 Cg_endo -62.93 148.61 93.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.435 ' HA ' HG22 ' A' ' 99' ' ' VAL . 69.5 t -57.04 -50.27 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -166.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.81 97.87 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -66.07 -41.07 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -177.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.53 ' CG2' ' HB1' ' A' ' 11' ' ' ALA . 77.0 t -66.21 -46.47 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -64.8 -41.42 95.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.09 -40.45 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -52.48 -51.1 61.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -134.38 83.9 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.5 m -133.49 128.4 20.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.149 162.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -53.93 -43.2 60.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.8 -35.12 78.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.29 -42.4 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -173.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 pt -65.08 -21.71 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HA ' ' ND2' ' A' ' 30' ' ' ASN . 97.5 mttt -65.72 -20.96 66.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -55.81 -35.76 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -118.97 9.9 12.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -165.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.403 ' ND2' ' HA ' ' A' ' 27' ' ' LYS . 41.5 p30 -93.88 -168.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 171.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 67.93 77.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.18 45.84 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.1 p -95.03 -165.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 171.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -68.64 -3.31 11.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -96.37 -23.25 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.6 m95 56.46 36.26 27.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.965 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -128.31 152.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -110.7 137.92 47.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 166.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p -127.73 146.56 50.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -168.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.33 137.07 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 168.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.43 145.29 50.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.013 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -132.89 122.11 23.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 163.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.02 136.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -170.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.51 105.62 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.64 89.17 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -169.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -164.63 154.99 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.63 120.2 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.01 -13.5 66.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.429 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.5 158.28 48.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.495 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.34 153.22 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.041 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -142.03 153.58 44.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -148.03 141.36 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -142.16 124.42 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -99.86 128.86 45.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.5 ttm -119.85 130.09 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -130.46 148.62 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.91 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -55.87 -35.77 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -85.95 -2.2 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.51 19.2 77.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.9 p -83.03 -23.08 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.05 164.83 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.12 171.98 44.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.394 173.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.97 143.91 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.31 119.9 39.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -106.79 112.0 24.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.67 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.61 175.0 36.53 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.399 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -130.74 137.93 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -78.14 142.87 37.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.3 p -115.11 -25.04 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.202 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -155.66 134.61 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -141.07 123.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.0 98.89 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.089 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.82 34.07 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 165.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.58 19.78 6.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.49 -31.26 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -134.51 120.72 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.3 mt -136.33 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -125.06 136.65 53.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -151.06 169.23 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -171.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.83 133.21 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -116.84 95.32 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.91 -118.98 9.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -98.8 20.92 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.12 173.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.8 p -131.6 159.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 151.93 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.54 131.25 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.93 131.88 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -126.5 144.86 50.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.24 127.56 54.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.29 127.28 55.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -82.69 120.02 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -116.4 154.45 48.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.07 -26.31 65.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.633 2.222 . . . . 0.0 112.397 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -91.45 -25.82 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.491 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 174.94 -167.94 40.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 13' ' ' VAL . 89.2 t -103.1 123.74 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 m -96.86 124.11 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.85 122.05 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -117.05 124.53 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.98 123.74 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -132.8 126.23 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.36 159.09 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -172.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -83.23 137.66 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . -60.94 123.41 17.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.9 142.91 27.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.0 m -65.02 -37.4 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.78 -28.38 61.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.45 115.96 44.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.41 146.94 39.27 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.757 2.304 . . . . 0.0 112.262 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.58 -45.7 59.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.26 -40.24 95.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.8 -38.5 89.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -74.17 -41.11 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.454 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -57.75 -49.96 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.08 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.47 -52.03 38.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -70.65 -32.95 70.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -63.7 -43.09 97.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.41 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.95 -45.01 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.57 -40.46 97.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.56 -33.06 74.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.29 -35.39 78.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -57.35 -40.65 78.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.64 -40.48 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 174.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.28 -35.26 71.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.4 -47.86 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 11' ' ' ALA . 60.2 t -59.97 -45.45 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.14 -38.88 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.0 p -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.26 14.0 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.6 tp -151.98 118.63 5.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 58.11 36.32 25.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -83.84 -4.65 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 178.72 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -97.42 121.74 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 107' ' ' ALA . 5.1 mp -110.54 129.76 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -124.45 137.91 54.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.27 156.96 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.46 138.8 33.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.8 m -141.53 137.37 31.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 m -114.06 125.02 53.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.74 133.08 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.43 72.49 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB3' HG11 ' A' ' 131' ' ' VAL . . . -149.52 157.87 38.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.588 0.709 . . . . 0.0 111.051 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.83 145.88 38.22 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.473 ' HA ' HG22 ' A' ' 99' ' ' VAL . 67.4 t -57.25 -49.52 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.066 -171.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.1 99.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -39.57 92.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.489 ' CG2' ' HB1' ' A' ' 11' ' ' ALA . 63.2 t -67.64 -48.33 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -66.41 -41.97 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.37 -38.97 85.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.02 60.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.022 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -49.03 -49.42 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.9 m -132.37 83.02 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.4 m -127.92 128.46 23.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.55 0.691 . . . . 0.0 111.11 166.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -52.95 -46.14 35.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.601 2.2 . . . . 0.0 112.402 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -59.22 -34.2 71.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.54 -44.64 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.3 pt -67.59 -22.71 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.44 -24.0 64.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -58.07 -39.22 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -120.88 -2.12 9.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -164.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.421 ' HB2' ' HA ' ' A' ' 38' ' ' THR . 38.7 p30 -91.29 -165.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 171.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 30' ' ' ASN . . . 67.54 72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.48 52.69 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.045 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.9 p -95.01 -166.9 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.805 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.38 -15.14 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -80.55 -10.53 59.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.6 m0 59.4 16.34 5.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -136.66 150.0 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 30' ' ' ASN . 92.8 m -107.67 140.7 40.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 169.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.2 m -124.46 127.82 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -166.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.47 128.58 45.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 172.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.35 132.2 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -124.96 129.18 49.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -135.59 131.15 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -165.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -110.38 105.35 14.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 162.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.4 mt -84.8 84.53 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -165.11 161.62 19.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.07 114.42 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.53 65.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.41 145.74 29.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 147.23 26.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 t -141.01 136.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -135.27 126.09 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -107.0 121.83 45.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.5 ttp -113.3 127.92 56.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 174.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -129.86 145.96 51.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 144.51 56.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.47 -34.09 70.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -88.22 -0.98 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.16 19.61 77.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -82.14 -22.16 36.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.02 164.93 32.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.15 171.82 44.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -132.19 140.25 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -100.58 119.37 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -107.97 136.62 47.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 145.44 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.04 170.22 34.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.408 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -134.87 139.28 44.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -83.35 137.22 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.5 p -110.32 -21.89 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.176 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -154.69 132.71 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -141.34 122.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.65 101.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 52.17 34.95 15.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 164.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 56.42 22.57 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -114.02 -40.9 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.89 122.03 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.5 mt -136.43 121.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -174.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.87 133.66 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -154.53 173.03 16.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -172.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.85 127.98 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -114.7 96.75 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -170.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.26 -128.24 24.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.555 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.36 16.01 8.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -134.62 -179.99 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -127.23 158.05 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.74 151.49 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.91 131.84 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.3 t -114.41 130.82 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.32 144.42 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.19 128.14 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.99 127.79 56.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -84.02 120.03 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.486 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -115.53 155.46 47.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.154 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.13 -26.54 72.95 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.39 -25.07 17.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.486 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.16 -169.36 41.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 13' ' ' VAL . 83.1 t -107.91 123.53 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -101.17 130.33 47.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 124.05 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -117.74 125.86 51.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -121.31 123.87 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -123.55 130.48 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -139.79 155.9 47.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.78 138.29 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.495 ' HB3' ' CD1' ' A' ' 3' ' ' ILE . . . -65.18 131.3 46.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -176.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -100.28 144.33 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -66.69 -37.52 84.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -75.67 -28.96 58.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -111.57 121.37 40.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.98 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -52.79 142.98 49.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.26 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 67.3 t -55.4 -46.7 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -37.78 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.58 -40.46 95.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.55 -43.03 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.14 -48.67 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -68.91 -38.51 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.71 -48.95 66.89 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -66.57 -35.64 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.09 82.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.49 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.34 -40.2 93.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.92 -36.68 85.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.44 -40.38 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.962 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -61.13 -41.91 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.98 -46.81 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.25 -46.5 88.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.556 HG11 ' HB3' ' A' ' 11' ' ' ALA . 54.1 t -60.69 -45.78 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.98 -35.5 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.3 p -74.93 -19.88 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -120.01 8.41 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.6 120.98 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 59.16 35.15 23.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -83.53 -2.23 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.214 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 98.9 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.49 141.4 36.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.27 127.32 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -165.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -119.96 135.03 55.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.27 140.45 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -137.58 135.66 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -138.37 141.19 39.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -115.49 130.06 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.9 148.31 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.45 64.65 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.47 144.94 29.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.86 149.95 88.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.24 . . . . 0.0 112.442 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.22 -35.0 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -171.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.89 -44.0 98.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -66.3 -44.72 82.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.884 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.47 -47.56 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -62.75 -44.25 96.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.5 -45.97 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.21 -20.89 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.45 -49.53 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -135.04 79.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.1 m -119.21 126.81 26.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 166.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -70.45 -34.13 12.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.567 2.178 . . . . 0.0 112.332 -173.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.94 -38.04 89.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -74.11 -40.8 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 pt -64.29 -18.26 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.12 -20.3 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.45 -37.84 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -121.7 -1.3 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -163.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.471 ' HB2' ' HA ' ' A' ' 38' ' ' THR . 47.1 p30 -93.0 -167.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 174.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' HB1' ' O ' ' A' ' 30' ' ' ASN . . . 67.04 62.34 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.3 53.65 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.4 p -80.63 -175.77 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 170.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.54 -30.1 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -75.2 -4.02 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.7 m0 59.03 22.06 10.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -116.31 128.63 55.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 30' ' ' ASN . 80.8 m -111.57 128.17 55.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 168.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -122.91 136.43 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.31 132.83 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 169.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.28 53.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.12 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -132.13 127.13 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 169.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.3 133.09 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -170.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -94.81 106.75 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 163.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.2 79.78 8.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -169.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -165.31 154.41 12.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.44 124.21 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.35 70.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.402 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.4 158.97 40.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.56 150.98 22.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.062 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -147.78 160.4 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.6 p -152.11 151.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -145.22 126.91 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -112.46 126.47 55.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.9 ttp -118.71 132.68 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -129.48 149.06 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.94 152.06 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.49 -40.32 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -88.37 -0.46 57.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.34 20.03 73.02 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.374 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -80.31 -25.08 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.88 163.71 39.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.88 169.73 42.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -116.62 134.48 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.3 110.66 22.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 172.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -108.64 138.17 45.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.59 156.37 44.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.7 157.64 28.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.4 m -124.35 134.66 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 167.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -75.49 137.5 40.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -168.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.7 p -114.36 -24.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.217 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -156.23 132.45 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.5 t -138.98 123.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.91 101.05 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 52.07 32.94 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 168.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 58.37 19.03 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -109.05 -40.13 5.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.63 116.04 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -131.56 127.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.2 137.16 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.67 164.93 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.44 138.47 50.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.34 90.85 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 178.091 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.71 -117.94 7.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.546 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -97.1 15.51 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 110.832 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.1 174.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -130.85 159.56 37.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 155.0 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -139.24 135.05 33.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.929 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 103' ' ' VAL . 62.0 t -115.27 128.59 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.94 145.81 49.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.97 129.91 55.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.26 126.51 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 175.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -86.16 120.48 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -113.76 158.34 39.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 176.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 39.2 Cg_endo -64.07 -26.81 65.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -96.11 -27.07 15.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . -177.84 -169.11 38.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -177.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.65 131.54 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 111.076 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.5 m -106.29 130.44 54.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -116.96 129.01 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.51 127.09 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.425 HG23 HG23 ' A' ' 90' ' ' VAL . 60.4 t -120.51 122.21 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -131.68 132.8 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -137.51 155.37 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.92 139.23 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -175.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . -70.07 140.21 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -175.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -86.36 149.33 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.9 m -79.12 -40.53 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.82 -24.32 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -174.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.455 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.0 m-85 -110.94 136.41 20.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 76.2 Cg_exo -55.43 140.88 82.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.38 -45.82 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -65.57 -44.21 87.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.978 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.536 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 9.0 mm-40 -74.64 -34.63 62.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.003 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.61 -43.13 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.81 -46.66 88.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.408 ' O ' HG22 ' A' ' 123' ' ' ILE . 54.8 m95 -70.95 -37.51 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.69 0.281 . . . . 0.0 110.95 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.42 -41.49 96.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.77 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' ' 120' ' ' TRP . 13.6 tt -75.32 -32.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -175.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.8 -36.77 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.33 -34.99 79.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 172.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -64.61 -35.35 80.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 171.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.491 ' O ' ' HB3' ' A' ' 130' ' ' HIS . 18.9 m-30 -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.47 -44.77 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 170.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.44 -31.43 72.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 127' ' ' PHE . 64.5 t60 -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.55 -44.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.23 -34.43 75.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.4 p -72.4 -16.9 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -113.95 7.28 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.502 HD13 ' C ' ' A' ' 135' ' ' LEU . 3.2 tm? -142.36 110.27 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.05 42.0 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -82.28 -8.27 59.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 178.9 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -97.78 120.4 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.67 126.28 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -122.57 134.18 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.18 140.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -123.44 146.39 48.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -145.27 138.87 26.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -115.81 127.77 55.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.99 128.64 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 69.98 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.95 159.76 31.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 111.075 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -54.18 144.52 58.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.754 2.302 . . . . 0.0 112.318 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.437 ' HA ' HG22 ' A' ' 99' ' ' VAL . 67.7 t -56.81 -47.49 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -174.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.71 99.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.12 -40.25 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.65 -46.74 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -66.41 -42.55 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.77 -43.62 79.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.49 60.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -49.5 -46.33 48.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.989 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -133.16 74.28 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -113.49 127.2 27.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.521 0.677 . . . . 0.0 111.127 167.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.18 -40.24 27.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.7 -34.94 75.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.962 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -72.08 -35.68 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.434 HD11 ' HB1' ' A' ' 41' ' ' ALA . 86.9 mt -64.78 -39.71 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.36 -25.6 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.06 -31.68 72.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -170.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -123.38 -4.94 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -168.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' HB2' ' H ' ' A' ' 39' ' ' THR . 28.2 p-10 -92.82 -166.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 173.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.423 ' O ' ' HB1' ' A' ' 32' ' ' ALA . . . 57.33 72.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 31' ' ' ALA . . . 64.97 71.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.013 -174.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.3 p -61.31 -176.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.45 -38.63 71.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.64 5.76 17.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.8 m95 65.36 28.44 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -105.56 140.87 37.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m -113.94 130.64 56.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.467 ' H ' ' HB2' ' A' ' 30' ' ' ASN . 89.0 m -127.68 121.38 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.192 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.36 134.31 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.151 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.434 ' HB1' HD11 ' A' ' 26' ' ' ILE . . . -128.22 137.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -126.87 125.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 166.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.71 127.05 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -94.67 104.97 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 80.04 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -164.33 157.7 17.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.06 123.1 15.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.29 -7.16 78.36 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.3 40.63 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.479 -176.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.91 151.25 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 111.028 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -141.24 155.1 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 173.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -151.49 143.48 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -137.98 126.56 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -110.04 123.65 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.4 mtt -112.59 134.05 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -127.71 145.09 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.8 155.65 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -58.13 -35.05 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.24 -0.96 57.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.22 20.86 71.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.9 p -85.52 -20.72 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -157.34 164.25 37.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.67 170.95 43.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -121.7 137.97 54.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.51 115.78 30.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -104.08 131.27 51.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 144.79 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.22 168.75 35.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -131.73 139.08 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 111.182 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -78.39 142.63 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.9 p -115.0 -23.18 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -160.08 133.85 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.2 t -139.77 123.71 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.67 100.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.057 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 50.06 35.06 9.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 165.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 59.02 19.59 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.21 -38.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -128.36 121.12 28.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.5 mt -130.84 121.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -116.81 136.59 52.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 171.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -149.89 164.91 34.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.71 133.2 55.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.147 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -115.8 95.61 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -121.99 15.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.556 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -94.0 15.33 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 110.881 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -134.05 174.44 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -133.15 159.22 40.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.33 155.13 37.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -134.94 133.68 39.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -114.21 128.99 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.062 175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.35 144.42 50.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.6 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.3 145.25 43.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -89.7 116.28 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.493 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -99.02 159.85 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.422 0.629 . . . . 0.0 111.234 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.493 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 36.9 Cg_endo -62.97 -29.39 75.73 Favored 'Trans proline' 0 N--CA 1.466 -0.115 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -90.3 -27.46 19.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.442 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.33 -166.65 37.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.437 HG22 ' HA ' ' A' ' 13' ' ' VAL . 94.5 t -100.07 121.67 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 111.06 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.0 m -103.53 129.93 50.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 -174.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.2 t -115.77 126.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -112.02 123.8 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.06 120.89 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 t -126.52 132.25 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -138.5 158.51 44.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.5 t -93.16 135.98 26.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 176.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.06 154.16 35.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.08 154.19 29.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -79.9 -36.58 36.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 175.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.16 -15.1 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.67 145.31 49.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.681 0.753 . . . . 0.0 110.929 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.4 142.95 74.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.25 -31.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -176.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.09 -43.44 92.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.43 -40.5 85.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.65 -42.26 82.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -57.89 -51.02 71.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -69.85 -42.5 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.31 51.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.63 -39.67 94.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.89 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.23 -45.38 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.9 -34.97 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.97 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.34 -40.84 97.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 173.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.26 -39.09 91.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.23 -45.39 93.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -65.27 -33.76 76.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -66.03 -40.62 91.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.06 -40.0 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.58 -36.03 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -67.23 -17.56 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -105.01 -2.88 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.7 tp -142.81 114.89 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 56.07 38.97 30.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -85.08 -10.25 57.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 177.847 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -100.11 120.5 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.409 HD12 HG13 ' A' ' 113' ' ' VAL . 80.7 mt -103.46 127.82 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 174.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -121.03 132.49 54.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -132.15 139.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -124.71 136.08 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -136.61 133.86 36.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -114.95 125.54 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -120.59 133.27 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.17 72.18 10.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.022 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.81 160.99 30.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.036 -176.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.02 144.98 54.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.381 174.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.92 -34.38 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -45.99 94.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -66.74 -44.28 81.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.864 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.18 -45.9 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -65.93 -43.65 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.99 -35.04 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.39 -23.19 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.22 -41.73 89.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -174.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.1 p -135.05 70.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -124.68 117.53 26.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.52 0.676 . . . . 0.0 111.23 164.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.99 -46.48 33.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.414 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -34.55 73.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.7 -37.01 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.32 -40.12 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.74 -24.78 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -48.43 -31.03 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -107.34 -2.33 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -166.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -93.94 -168.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 68.24 73.56 0.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.071 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.66 46.12 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.9 p -86.86 -178.77 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 166.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.83 -36.97 70.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -172.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -77.84 -8.52 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.2 m95 54.93 36.16 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -115.29 144.79 43.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -105.77 134.9 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 172.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -130.27 135.46 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -169.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 137.46 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.88 146.05 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.048 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -132.71 126.38 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 165.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.9 125.6 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -90.96 112.19 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.62 79.31 9.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -165.95 157.23 13.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.91 124.01 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.11 -8.89 78.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.0 152.57 48.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.01 152.68 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -144.86 157.29 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 172.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -151.68 152.08 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -141.67 126.02 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -107.17 126.12 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.4 mtp -119.22 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -132.09 150.3 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.6 141.19 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.009 172.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -52.76 -38.53 61.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -85.01 -0.79 55.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.06 19.6 77.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.439 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -83.8 -26.44 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 -176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.93 163.78 33.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.834 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.22 169.51 42.64 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.0 137.57 47.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.08 120.08 40.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.13 137.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.68 145.03 33.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.19 171.03 35.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -138.48 144.03 39.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.727 0.299 . . . . 0.0 111.127 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -77.93 143.96 37.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.2 p -115.06 -26.42 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.189 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.62 134.44 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.3 t -141.45 123.32 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.3 98.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 52.43 30.74 8.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 165.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 58.84 21.08 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.79 -39.98 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -130.22 119.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -136.88 125.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.97 136.56 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 174.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.77 166.48 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.09 139.14 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 45.4 p90 -129.68 114.9 16.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.84 -131.61 28.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.531 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.48 23.93 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.826 172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -133.06 171.99 13.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 58.1 p -132.16 156.14 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.69 154.03 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -139.3 133.61 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.804 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.94 134.99 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -119.26 144.09 46.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -119.96 133.66 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 pp -136.58 143.18 43.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -94.12 119.36 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -101.72 160.12 27.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 111.167 175.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.502 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -63.1 -28.62 74.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.768 2.312 . . . . 0.0 112.283 177.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.55 -25.85 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.451 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 177.5 -170.2 42.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.23 124.31 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 m -106.76 131.66 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.11 126.21 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -116.58 122.93 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -175.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.6 127.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.9 t -127.04 128.1 45.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -142.39 160.53 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.51 135.18 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.66 145.53 45.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 -173.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -77.76 155.3 31.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.0 m -81.5 -37.27 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.66 -20.07 54.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 87.3 m-85 -115.67 137.54 23.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 62.0 Cg_exo -55.0 143.78 71.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG13 HD12 ' A' ' 3' ' ' ILE . 65.3 t -56.72 -45.53 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 177.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -37.4 87.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.8 -39.9 95.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -73.06 -39.67 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.15 -48.18 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.989 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -72.13 -41.22 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.97 90.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -176.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -68.83 -38.16 79.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.671 0.272 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -62.53 -40.04 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.42 79.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.059 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.04 -45.07 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.26 -37.72 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.99 -36.23 83.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.12 -41.01 99.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -62.9 -42.89 99.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -50.78 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -67.89 -34.94 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.09 -46.98 81.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.46 -41.21 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -73.3 -10.84 60.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -107.38 1.71 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.8 tp -149.73 119.2 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 57.2 36.81 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -86.37 -1.59 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.864 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 179.164 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -100.09 120.02 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.0 mt -102.83 128.86 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.0 m -121.15 132.8 55.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.11 157.03 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -141.84 136.69 30.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -140.91 133.87 29.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.1 m -112.05 125.65 54.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.46 131.08 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 75.79 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 16' ' ' VAL . . . -156.91 157.44 30.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.013 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.74 145.72 59.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.76 -36.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -175.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.93 96.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.81 -42.95 80.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.822 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 11' ' ' ALA . 71.0 t -67.61 -49.74 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.057 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.437 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 46.9 m0 -65.21 -42.28 93.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -174.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.25 -41.12 86.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.834 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.1 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -47.85 -55.05 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -135.53 86.45 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.0 m -127.63 129.64 23.78 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 166.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.29 -46.28 33.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.283 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.23 -35.66 75.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -71.55 -36.59 71.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.83 -37.22 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.37 -25.09 63.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -57.86 -40.56 80.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -122.53 -1.28 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -164.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.464 ' HB2' ' H ' ' A' ' 39' ' ' THR . 33.4 p-10 -88.89 -165.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 30' ' ' ASN . . . 68.2 74.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.41 59.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.977 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.05 -32.36 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -74.27 -0.73 17.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.4 m95 60.34 30.04 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -127.6 145.83 50.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.8 m -105.75 139.96 39.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 30' ' ' ASN . 94.3 m -122.55 116.4 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 -169.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.53 134.4 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.58 138.52 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.074 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 122.03 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 168.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 HG12 ' HB2' ' A' ' 51' ' ' PHE . 6.5 m -130.78 135.67 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -100.51 107.86 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 164.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.93 88.33 7.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -165.57 157.13 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.28 119.2 7.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 173.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.45 -8.39 79.93 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.79 152.01 43.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.87 152.36 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 111.057 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.457 ' HB2' HG12 ' A' ' 43' ' ' VAL . 54.6 p90 -144.77 158.32 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 174.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -149.83 152.15 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -142.23 130.88 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -113.16 126.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.9 ttp -115.32 129.9 56.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -130.06 148.0 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.2 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.03 -39.03 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.08 -0.06 56.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.09 21.09 76.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -82.22 -24.99 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.982 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -158.14 163.99 37.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.877 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.06 40.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.47 140.28 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.7 120.96 43.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.52 137.64 49.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.49 144.93 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.26 171.07 35.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.9 m -134.97 142.0 46.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -77.51 143.01 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.7 p -113.4 -25.02 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.15 135.52 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -140.96 122.44 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -132.65 101.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 50.85 33.33 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 165.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.437 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 78.5 m-20 56.34 20.75 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HA ' ' HB2' ' A' ' 92' ' ' PHE . 88.6 tttt -114.79 -36.14 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -130.27 119.15 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 171.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' HB ' HG13 ' A' ' 90' ' ' VAL . 90.0 mt -137.44 128.91 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -176.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.38 135.21 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -145.02 162.14 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.35 137.32 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.126 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 48.7 p90 -128.39 115.08 17.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.892 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.66 -129.81 27.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -97.63 26.25 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.24 170.34 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -132.38 156.7 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.16 154.96 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.26 132.06 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.442 HG13 ' HB ' ' A' ' 79' ' ' ILE . 5.0 p -117.96 134.81 60.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -124.05 146.05 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 77' ' ' LYS . 66.4 m-85 -116.34 123.35 47.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -178.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.19 128.3 56.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -85.42 118.11 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -115.91 157.71 44.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -63.8 -27.01 67.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.291 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.14 -26.34 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.482 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 176.7 -167.74 39.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.533 -176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -109.6 124.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.137 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.7 m -102.32 128.68 48.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.56 122.35 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.17 127.47 51.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.75 129.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t -123.24 126.89 47.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -144.51 159.33 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.37 135.02 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.67 144.91 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -83.51 124.59 30.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -61.56 -30.03 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.191 -173.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.52 -18.31 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.44 151.31 56.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.978 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -65.86 146.81 84.19 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.35 -42.19 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.1 -45.06 87.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.21 -40.46 94.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.36 -40.41 81.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.48 -47.69 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.44 -34.97 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.59 63.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -70.24 -34.49 72.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.665 0.269 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.37 -40.16 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.53 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.58 -46.15 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.69 -37.0 85.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.05 -37.11 86.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.31 -40.98 98.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -65.12 -43.52 91.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -64.17 -50.12 69.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -64.93 -32.71 74.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -60.09 -47.42 85.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.43 -42.79 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.16 -36.65 78.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.5 p -75.58 -18.9 59.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -109.95 7.2 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.7 tp -152.26 118.2 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 58.4 36.74 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -84.32 -4.38 58.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 178.247 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -80.05 141.75 35.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 4.9 mp -107.77 129.38 61.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -166.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -121.09 134.33 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.32 139.97 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -130.53 135.27 47.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -136.08 136.4 40.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.6 m -116.6 129.54 56.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -125.18 133.7 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.3 76.28 9.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -175.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.559 ' HB3' HD11 ' A' ' 135' ' ' LEU . . . -147.83 157.29 44.05 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.603 0.716 . . . . 0.0 110.979 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.33 144.09 62.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 174.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.48 -35.3 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -39.17 80.45 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.52 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -64.96 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -174.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG22 ' HB ' ' A' ' 99' ' ' VAL . 67.1 t -63.98 -46.73 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -66.78 -46.79 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.63 -41.69 87.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.93 -12.82 59.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -44.88 -49.78 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -168.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -132.98 88.8 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -123.38 126.76 25.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.53 0.681 . . . . 0.0 111.196 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.69 -36.65 8.01 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.07 -37.94 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -73.8 -40.84 63.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -171.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.25 -20.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.64 -21.92 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -63.35 -38.39 90.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -121.85 -3.44 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -164.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.446 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 43.4 p30 -94.61 -163.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 174.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB1' ' O ' ' A' ' 30' ' ' ASN . . . 68.01 63.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.7 56.55 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.8 p -73.56 -172.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.93 -42.2 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -170.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -75.05 -4.6 39.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.4 m95 62.9 30.15 16.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -117.31 139.61 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 172.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -113.22 135.99 53.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -120.01 128.59 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.99 134.03 55.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.117 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.63 129.03 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -130.26 130.8 45.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 170.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.16 135.31 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -96.21 108.01 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 163.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.6 77.23 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -169.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -166.77 155.31 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.51 123.72 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.41 -3.72 66.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.9 161.89 42.35 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.11 145.0 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.061 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -131.92 143.4 50.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.5 t -150.41 131.54 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -133.01 126.07 31.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -113.3 119.73 38.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.2 ttt -111.68 130.01 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -131.72 149.35 52.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.0 145.7 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -51.59 -38.18 53.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.31 -0.97 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.97 19.47 67.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 172.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.3 p -82.97 -26.13 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -178.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -155.49 163.6 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.95 173.89 46.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 170.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.94 141.6 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -116.64 115.49 25.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -110.58 125.99 53.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.33 154.99 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.032 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.26 160.55 34.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.4 m -119.77 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.212 167.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -75.96 137.31 40.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -168.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.2 p -112.48 -22.18 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.18 132.61 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.61 122.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -128.92 101.55 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.47 33.57 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 165.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 59.74 18.42 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.77 -40.89 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.7 117.84 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.49 125.43 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -127.16 136.93 52.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.02 164.51 32.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.53 136.74 52.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.46 91.65 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 -117.93 8.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.575 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -97.04 15.19 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.79 174.22 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.1 p -130.87 158.82 39.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.2 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -134.68 131.39 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -173.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.54 127.49 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.61 144.7 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -118.63 132.73 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.7 mt -124.54 136.38 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -91.91 114.52 27.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 98' ' ' GLY . . . -101.07 159.76 28.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 0.0 111.136 172.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 36.7 Cg_endo -62.83 -28.17 75.64 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.19 -28.35 16.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.501 ' O ' ' HB1' ' A' ' 95' ' ' ALA . . . 179.6 -171.43 43.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.524 -176.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.484 ' HB ' HG22 ' A' ' 16' ' ' VAL . 95.3 t -101.87 127.68 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.3 m -104.01 125.62 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -114.81 124.71 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -117.54 124.66 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.57 124.25 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.3 t -130.58 132.78 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.417 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 50.0 p90 -139.15 156.6 47.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.36 135.97 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.3 139.24 52.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -173.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -80.11 148.1 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -40.07 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.63 -22.32 50.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -113.26 136.74 21.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.09 143.85 72.13 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.625 2.216 . . . . 0.0 112.342 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.07 -45.02 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.61 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.53 -39.64 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -55.22 -48.88 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -69.99 -43.56 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.01 90.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.403 ' O ' HG22 ' A' ' 123' ' ' ILE . 53.8 m95 -69.06 -36.24 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 110.933 179.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.96 -40.96 97.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.49 96.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.403 HG22 ' O ' ' A' ' 120' ' ' TRP . 11.2 tp -73.86 -33.07 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.73 -34.47 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.85 -36.42 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -63.03 -39.64 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 172.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.94 -36.1 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.54 -48.19 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.72 -25.15 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -57.54 -56.01 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.417 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.1 t -65.91 -41.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.126 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.68 -38.08 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -64.9 -18.72 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -103.13 13.68 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 11' ' ' ALA . 83.4 mt -106.76 135.51 48.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 47.93 38.69 9.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -75.95 -22.54 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 168.843 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -86.97 119.9 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -108.38 133.39 53.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.5 m -114.91 132.48 56.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 m -131.28 147.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -140.28 145.09 36.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -168.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -142.34 143.78 32.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -117.13 124.86 50.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.62 132.65 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.04 70.15 10.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.76 35.06 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 111.125 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.73 144.96 51.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.1 t -56.86 -47.3 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.11 95.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.12 -42.26 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -60.02 -43.75 95.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -62.08 -47.38 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.62 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HD2' ' HG1' ' A' ' 21' ' ' THR . 73.9 t80 -65.31 -50.21 66.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HG1' ' HD2' ' A' ' 20' ' ' TYR . 34.7 m -137.86 74.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -129.96 130.99 23.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.582 0.706 . . . . 0.0 111.111 158.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.409 -176.174 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.3 p -135.27 164.77 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 168.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.8 132.12 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.84 141.18 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.2 m -129.26 126.9 40.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 170.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.03 125.1 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -171.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -107.2 100.64 10.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -84.54 95.46 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -172.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -167.47 157.54 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.89 112.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.8 -5.07 69.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.22 147.98 19.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.14 156.29 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.88 154.98 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.4 t -150.68 140.78 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -137.51 121.65 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -108.78 129.89 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 80.1 mtp -119.75 138.03 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -129.68 152.96 48.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.29 150.61 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.74 -36.13 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -89.11 -0.63 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.68 77.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -83.59 -21.35 32.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -156.57 163.48 39.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.64 44.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -146.14 154.97 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -118.5 121.65 40.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -108.81 123.84 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 148.39 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.92 175.09 35.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -130.07 138.19 50.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -81.62 136.29 35.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -111.6 -23.43 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.63 133.28 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -139.64 124.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.99 100.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 50.38 36.36 12.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 165.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 58.47 22.15 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -121.4 -33.91 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -128.95 117.77 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.2 mt -136.66 111.1 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -173.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.95 139.24 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -150.02 165.17 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.76 135.85 53.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -124.04 95.67 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.13 -119.24 13.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -91.14 1.94 56.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 77.0 mtm180 -112.92 166.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -175.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.3 p -131.29 158.92 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.78 151.41 35.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -133.84 129.9 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.92 131.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -125.27 143.64 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -115.49 127.25 55.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.0 tp -117.98 129.39 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -86.37 117.76 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.79 156.24 42.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.715 . . . . 0.0 111.102 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.6 -26.7 69.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -91.94 -27.21 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.04 -169.95 42.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t -106.26 123.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 111.095 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.4 m -104.0 129.92 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.195 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.29 122.26 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.2 128.89 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.94 125.56 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t -117.42 124.41 48.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -141.18 156.42 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.0 t -80.65 136.88 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.33 147.03 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 15.7 tp10 -89.68 129.53 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -65.15 -22.26 66.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 97.6 mt-10 -79.8 -16.0 56.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.17 146.13 52.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.758 0.79 . . . . 0.0 110.9 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.08 142.91 85.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.4 -43.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.29 -42.2 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.04 -38.23 87.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -65.51 -43.87 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.08 -46.61 88.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.84 -42.24 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.51 94.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.696 0.284 . . . . 0.0 110.907 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.15 -39.17 91.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.28 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.76 -47.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.23 -36.72 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.38 -39.95 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.1 -42.15 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.43 -46.22 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.27 -36.08 82.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.61 -46.12 89.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.82 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.7 -39.02 67.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -72.16 -16.54 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -92.9 -3.66 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.7 mt -101.96 -37.11 8.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.269 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.24 118.36 24.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -103.46 127.7 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.6 m -119.37 133.82 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.5 m -132.75 151.42 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -143.44 143.73 31.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -167.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 151.18 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -125.28 130.1 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.74 142.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.25 70.02 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.08 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.2 154.18 36.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.15 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.14 144.38 58.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.29 -36.44 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.32 94.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.9 -42.19 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.55 -49.85 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.4 m0 -66.75 -44.08 82.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.09 -42.53 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.54 61.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -60.27 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -125.05 74.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.7 m -133.42 128.54 20.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.3 -177.956 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.879 0.371 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 p -138.08 160.33 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 166.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.28 19.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.87 145.23 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m -131.52 126.42 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.48 128.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -170.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.35 100.16 9.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 164.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -82.54 96.3 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -172.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -166.17 158.96 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.99 115.77 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.02 83.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.35 155.3 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.405 -174.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.27 151.27 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.105 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -142.97 154.97 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 171.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -150.29 142.9 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -138.74 126.29 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -111.05 129.8 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.778 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 79.8 mtp -117.76 136.01 53.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' OE2' ' HA3' ' A' ' 63' ' ' GLY . 44.4 mm-40 -130.07 153.3 48.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.03 149.45 48.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.87 -35.92 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p-10 -88.63 -1.01 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.12 20.73 78.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.45 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -81.48 -19.72 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptp -158.08 161.03 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.499 ' HA3' ' OE2' ' A' ' 56' ' ' GLU . . . -171.78 165.76 38.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.419 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.38 148.7 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -109.0 122.15 46.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -117.72 120.13 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.24 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.172 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 173.05 35.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.3 m -131.54 139.28 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.13 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -79.25 144.33 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -115.02 -23.91 8.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.2 136.38 9.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -141.91 124.85 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.64 101.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 50.61 33.87 8.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 75.9 m-20 56.78 21.63 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -118.04 -30.58 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.89 119.77 21.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.79 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.66 110.34 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -117.64 138.78 51.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -148.5 166.35 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -175.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.1 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -118.89 97.44 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.31 -121.34 20.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -97.06 20.33 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -132.32 172.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.8 p -133.68 158.4 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.67 153.48 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -134.84 130.09 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.14 130.16 65.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -124.01 144.86 49.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -117.23 127.1 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.06 128.05 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.6 116.8 25.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.38 157.49 39.93 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.563 0.697 . . . . 0.0 111.094 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -27.53 69.02 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -92.25 -26.05 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.59 -169.97 42.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.9 t -109.17 125.6 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 0.0 111.092 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -102.56 130.5 49.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.74 122.27 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -117.99 128.02 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.96 124.8 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 t -126.91 129.99 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -141.43 159.65 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -171.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.71 132.28 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.11 142.68 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.8 tt0 -95.19 127.7 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -63.46 -19.13 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -170.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 73.8 mm-40 -77.43 -15.99 59.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.89 141.28 40.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.683 0.754 . . . . 0.0 110.891 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.11 139.51 80.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.71 -45.05 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -42.81 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.83 -35.83 79.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.2 -41.55 81.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.52 -47.34 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.44 -41.45 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.84 -47.6 81.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -67.14 -37.57 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.06 -39.32 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.95 78.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.86 -45.1 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.55 -36.24 83.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.11 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.79 -42.0 95.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.07 -43.52 87.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -57.99 -45.37 86.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.23 -35.88 81.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -66.9 -41.96 86.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.72 -42.17 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.05 -34.21 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.9 p -77.8 -24.11 48.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.58 -4.61 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 tp -97.5 -38.59 9.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -106.46 119.31 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -119.17 136.48 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -127.31 140.61 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.98 149.31 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -129.48 140.46 51.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -170.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 150.89 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -125.65 130.08 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.37 149.6 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.14 67.67 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.048 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.29 145.79 19.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 111.044 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.31 143.83 63.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.763 2.308 . . . . 0.0 112.327 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.74 -45.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.45 -42.61 99.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.5 -40.77 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.946 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.78 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.59 -43.57 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -58.61 -43.86 89.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.03 -22.69 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -51.46 -54.18 29.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -127.83 78.34 1.82 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -124.23 153.42 68.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 161.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 43' ' ' VAL . 21.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 87.4 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.903 0.382 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -124.77 135.13 52.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 172.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.37 129.14 20.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -132.16 153.02 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -173.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -136.82 130.15 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.585 ' HB ' ' HD3' ' A' ' 23' ' ' PRO . 82.9 t -129.83 129.77 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -104.56 110.66 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 164.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 45' ' ' LEU . 43.8 mt -85.44 85.91 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -160.32 156.86 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.14 118.4 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 171.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.39 -8.57 78.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.05 152.18 45.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.546 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.04 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -147.97 157.1 43.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.3 p -151.57 151.75 31.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -139.86 127.35 21.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.48 130.02 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.7 mtm -121.28 132.62 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 47.7 mm-40 -130.1 143.37 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 148.41 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.84 -35.6 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -87.11 -2.61 58.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.54 20.02 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -86.74 -21.53 26.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -159.88 164.39 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.56 171.43 44.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.63 148.82 51.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -108.94 128.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.21 133.26 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.55 147.67 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.03 165.84 33.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.432 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -136.44 148.97 48.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.769 0.318 . . . . 0.0 111.119 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -81.61 143.47 31.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -114.47 -27.76 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -151.38 136.25 17.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.5 t -141.43 125.9 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -133.78 102.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 51.83 30.19 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 162.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 62.39 14.76 7.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.847 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -110.11 -40.02 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.927 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -133.38 120.43 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 pt -138.87 147.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.6 140.82 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -144.73 162.65 36.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.74 143.56 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 50.0 p90 -136.89 103.36 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.57 -128.05 29.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.569 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -97.47 21.15 10.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -134.88 170.93 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -135.04 158.43 44.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.69 151.29 37.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -136.54 132.28 35.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 103' ' ' VAL . 61.8 t -115.63 130.69 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -123.72 142.16 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.84 122.79 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.0 tp -110.91 122.88 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.999 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -87.19 119.58 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.58 158.13 46.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 111.146 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.7 Cg_endo -63.67 -25.69 68.9 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.1 -23.89 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.61 -173.37 46.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -177.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.1 128.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.4 m -101.62 130.23 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.5 t -112.88 122.04 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 127.46 53.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 90' ' ' VAL . 60.7 t -118.74 121.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.7 t -124.26 129.75 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -141.39 158.85 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.41 131.15 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.13 48.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -92.81 160.62 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.2 p -82.1 -25.45 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -85.36 -16.38 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -127.5 120.93 22.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.7 0.762 . . . . 0.0 110.971 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.32 142.9 67.41 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -55.85 -42.43 70.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.77 -35.65 77.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -71.71 -35.57 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.08 -47.21 83.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.62 -42.5 95.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.4 71.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.02 -40.14 71.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.68 0.276 . . . . 0.0 110.886 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -63.88 -39.89 95.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.12 -36.05 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -46.41 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.36 -38.99 85.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.05 -39.43 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.51 -43.83 96.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.79 -42.54 93.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.72 -48.21 81.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.24 -33.61 76.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -69.65 -42.17 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.0 -40.19 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 172.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.75 -32.73 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -85.23 -23.18 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -99.99 -12.34 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.0 tp -148.98 126.89 11.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -107.18 119.19 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.97 135.51 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -125.86 140.42 52.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.14 150.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -128.18 140.03 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -170.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -142.72 150.15 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -124.74 127.56 47.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.75 149.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.24 68.67 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.42 22.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.504 0.668 . . . . 0.0 111.137 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -55.12 144.54 69.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.289 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.53 -47.81 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -174.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -41.86 99.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.44 -40.49 89.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.4 t -67.93 -43.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -59.27 -44.78 92.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.16 -41.76 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.98 -22.44 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -46.89 -48.26 21.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -128.83 79.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.06 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -124.56 147.9 57.1 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 161.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 21.0 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -125.48 132.5 52.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.71 130.89 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -135.23 150.58 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -170.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.0 m -132.57 131.02 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.092 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.05 129.59 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.057 -169.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.58 108.39 19.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 164.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.6 mt -85.16 88.77 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ptt85 -163.14 157.59 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.1 118.79 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.79 -11.23 72.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.74 153.88 44.58 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.68 153.29 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -143.84 155.05 43.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -150.07 144.14 25.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -175.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -138.96 130.06 26.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -112.64 131.47 55.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.3 ttp -122.3 134.11 54.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -133.06 147.64 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.825 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.91 150.73 45.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.21 -35.92 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.35 -2.29 58.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.5 79.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -85.06 -20.51 30.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 ptp -156.98 160.08 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.71 164.32 37.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 173.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -132.38 141.68 48.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -104.81 119.36 38.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -111.27 138.63 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.53 148.64 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.4 166.16 32.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.3 m -134.71 141.57 46.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.137 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -81.11 140.87 34.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -116.25 -29.93 6.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -151.3 135.18 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -138.88 124.98 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.23 101.11 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.86 31.89 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 160.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.25 18.36 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.78 -45.85 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.17 141.36 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 79' ' ' ILE . 19.4 tt -147.54 126.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -121.92 139.98 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -150.77 165.05 34.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.14 132.45 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.094 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -122.15 98.53 5.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.79 -124.77 29.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.541 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -95.2 18.62 11.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.93 174.19 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.6 p -133.03 156.56 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.91 148.02 36.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -137.21 130.06 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.0 134.49 63.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -122.23 139.88 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -116.11 120.55 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 125.64 54.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.996 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.65 122.69 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.91 158.17 46.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.535 0.683 . . . . 0.0 111.109 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.0 Cg_endo -64.31 -25.26 64.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -96.65 -21.71 17.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 175.7 -172.04 45.08 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.33 128.15 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 111.048 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.7 m -101.12 130.53 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.94 121.66 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.01 123.95 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -175.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -116.98 121.85 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -123.54 127.92 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -143.31 160.13 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.4 t -81.89 130.95 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.64 142.72 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.5 tt0 -96.73 131.14 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -20.73 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 96.6 mt-10 -78.7 -18.26 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -128.52 138.88 34.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.689 0.757 . . . . 0.0 110.883 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 141.55 80.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.28 -43.32 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.12 -39.83 93.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -73.21 -35.05 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.15 -49.25 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.13 -41.42 86.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.11 -47.69 78.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -70.8 -39.0 73.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.94 -40.95 99.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.93 84.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.023 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.79 -48.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.18 -34.96 79.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.23 -34.74 78.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -58.53 -40.2 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 127' ' ' PHE . 1.5 m-30 -55.74 -51.27 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.35 -42.91 99.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.17 -35.22 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -76.76 -38.08 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.48 -46.42 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.06 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -79.37 -24.76 42.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -107.67 -8.01 16.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.7 tt -143.33 115.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -175.486 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -108.34 122.51 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -108.52 128.77 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.3 m -120.89 131.25 54.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.67 142.63 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.62 140.64 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -147.89 132.24 17.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -98.38 128.49 44.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.52 -16.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.906 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 59.26 58.23 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 175.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.05 162.77 46.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.02 141.24 79.57 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 0.0 112.288 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.66 -49.79 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.35 99.89 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.481 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.84 -41.77 95.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.11 -45.39 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.2 m0 -66.22 -41.37 90.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.95 -33.29 75.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.52 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.471 ' CD2' HG23 ' A' ' 21' ' ' THR . 39.9 t80 -56.34 -47.19 79.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -175.031 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 20' ' ' TYR . 45.3 p -129.47 72.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.9 m -122.03 126.47 26.3 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 158.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -174.402 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.7 m -122.08 137.43 54.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -170.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.24 132.12 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.77 134.63 50.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -123.51 129.64 51.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 130.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.19 105.02 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -81.88 99.21 8.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -169.34 160.23 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.07 110.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -0.59 65.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.421 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.26 149.89 34.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.06 147.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -174.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -131.83 141.92 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 168.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 t -144.05 139.5 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -135.42 121.41 19.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.74 128.18 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.37 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -131.63 144.06 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' H ' ' A' ' 62' ' ' MET . . . -77.47 143.92 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.28 -34.6 61.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -90.36 -0.43 57.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.44 77.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -94.22 -31.73 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.403 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 71.4 mtm -125.21 168.55 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -170.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.96 166.08 31.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.566 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.02 141.9 36.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -112.99 106.7 15.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -110.27 134.34 52.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.41 144.88 34.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.81 167.73 33.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -133.31 137.79 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.79 134.15 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.0 p -109.57 -23.06 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -158.63 135.22 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.5 t -138.06 127.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -127.5 99.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.71 36.68 14.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 165.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 76.1 m-20 57.56 24.5 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 175.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.73 -39.87 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -130.49 112.24 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.92 125.1 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.03 134.36 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.4 168.32 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.28 133.71 55.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -126.0 107.55 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 -124.25 33.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -173.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.29 4.42 54.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.957 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -108.11 166.68 10.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 152.32 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 170.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.1 151.36 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.09 130.05 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.78 127.8 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.31 146.01 49.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -117.07 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 tp -114.65 125.34 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.87 119.69 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -110.38 159.06 33.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 175.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.2 Cg_endo -63.48 -25.37 70.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.294 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -99.44 -31.0 11.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.906 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . -177.02 -156.37 15.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.426 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.32 131.22 55.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.162 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.2 m -99.07 123.33 43.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.7 t -106.94 122.33 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -119.1 124.0 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.73 126.13 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 t -125.6 130.05 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -144.22 161.23 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 -172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.91 135.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.88 97.63 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -50.76 161.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.8 p -75.8 -17.63 59.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.198 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.89 -30.56 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -172.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.22 142.06 41.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.804 0.811 . . . . 0.0 110.816 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.89 141.52 77.55 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.693 2.262 . . . . 0.0 112.376 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.71 -45.66 82.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.0 -43.44 98.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.69 -38.15 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -70.68 -38.7 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.38 -46.05 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.41 -35.11 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.42 77.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.495 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.73 -33.71 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -61.26 -43.69 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.53 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.69 -47.84 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.42 -33.79 73.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.23 -43.3 98.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -38.42 90.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.07 -45.89 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.65 -43.86 98.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.54 -35.1 79.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -67.7 -42.04 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.11 -42.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.8 p -78.34 -22.65 47.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -105.05 -4.24 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.65 114.97 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 178.84 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.48 122.15 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.61 130.49 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.7 m -119.43 132.38 55.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.26 140.04 50.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -130.07 137.43 50.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -148.47 134.39 19.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.092 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -101.24 125.69 47.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.97 -15.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 60.33 56.21 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 174.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -143.85 162.2 42.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 36.9 Cg_endo -64.61 144.44 84.46 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.72 -48.41 87.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -168.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.83 99.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.475 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.22 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.817 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.1 -41.46 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 7.4 m95 -61.64 -41.37 97.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.31 -42.0 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.05 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CD2' HG23 ' A' ' 21' ' ' THR . 32.2 t80 -57.43 -40.18 77.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' CD2' ' A' ' 20' ' ' TYR . 60.1 p -130.66 69.26 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 175.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -117.95 126.57 27.2 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.567 0.698 . . . . 0.0 111.114 154.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 C-N-CA 122.784 2.322 . . . . 0.0 112.287 -175.102 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -123.91 132.03 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.13 133.23 54.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.08 134.47 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -174.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -128.97 127.8 42.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.19 132.86 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -117.99 110.22 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 165.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.51 99.74 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -170.08 158.39 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.46 111.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 171.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.32 -3.59 66.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.18 147.07 38.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.434 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.41 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.104 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -132.52 143.85 50.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 170.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -140.71 138.21 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.7 t -131.41 118.94 20.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.88 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.7 115.02 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -119.21 126.24 51.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.61 148.78 42.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.83 143.92 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -53.48 -34.96 59.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -90.1 -0.06 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.24 21.54 75.8 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -85.29 -29.02 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -158.9 164.88 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -173.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.12 169.0 40.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 171.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.83 142.83 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -106.37 117.9 35.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.23 138.92 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.83 146.86 39.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.038 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.74 163.94 30.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.434 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -137.46 140.15 41.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 56.0 m-85 -79.68 137.72 37.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -113.53 -29.12 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -151.67 133.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -136.75 126.32 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.69 101.5 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.76 33.48 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 161.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.97 30.7 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -118.28 -48.96 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -132.07 126.58 34.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.16 129.7 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.8 137.0 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 52.5 p90 -150.3 167.55 26.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -174.214 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.83 135.63 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -125.05 101.69 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.02 -124.07 27.54 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -91.46 -2.22 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.904 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -104.51 169.2 8.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.99 154.85 46.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.05 152.2 31.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -135.79 129.83 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 103' ' ' VAL . 91.1 t -111.85 128.04 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -128.27 141.64 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -109.73 129.73 55.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 168.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.44 119.6 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.67 162.75 18.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.517 0.675 . . . . 0.0 111.137 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 35.4 Cg_endo -62.17 -24.69 76.5 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.719 2.279 . . . . 0.0 112.298 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -98.61 -34.92 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.731 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . 179.55 -159.41 23.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.5 t -90.41 131.03 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.14 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -98.54 123.44 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 165.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.17 122.22 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 -172.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -118.82 122.46 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 90' ' ' VAL . 61.3 t -124.43 126.55 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -120.25 130.03 54.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.58 155.1 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.83 140.53 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.65 90.71 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -45.81 153.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -65.31 -21.88 66.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -78.94 -21.2 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -111.36 112.62 54.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 111.019 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.92 142.6 63.68 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.348 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.65 -44.01 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.35 -42.17 98.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -39.95 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -71.78 -42.11 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -56.97 -50.24 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -71.12 -40.05 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.22 -49.31 62.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -69.35 -36.68 77.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.681 0.276 . . . . 0.0 110.936 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -63.65 -40.42 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.02 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.12 -45.26 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.94 -37.55 84.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -41.36 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.13 -41.34 94.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.61 -44.73 90.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.88 -34.52 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -71.19 -39.71 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.33 -41.95 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -39.41 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -76.63 -19.79 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -99.63 -5.28 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.3 tp -148.69 112.53 5.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 173.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -109.83 129.95 55.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.8 mt -112.34 130.43 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.8 m -127.96 130.95 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 142.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.76 144.04 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.89 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p -140.19 141.52 35.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 m -120.09 129.12 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.18 149.39 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB3' HD13 ' A' ' 135' ' ' LEU . . . -85.65 60.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -140.08 147.76 51.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.115 -178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.09 142.86 82.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.323 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.08 -42.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 -173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.9 71.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -68.59 -40.23 80.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.25 -55.68 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -170.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -65.33 -34.2 77.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -63.23 -43.65 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.881 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.74 60.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -45.4 -45.42 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.0 m -135.76 84.82 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.2 p -123.48 144.19 43.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.488 0.661 . . . . 0.0 111.153 161.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo . . . . . 0 C--O 1.23 0.112 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 177.567 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.8 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.934 0.397 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.7 m -120.65 135.55 55.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.67 140.99 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.29 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -134.59 129.32 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.47 129.26 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -172.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -112.12 102.0 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.846 166.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.3 tp -82.55 101.61 10.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -168.92 159.51 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.9 111.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 174.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.0 78.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.7 149.85 40.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -142.76 154.94 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 169.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -149.9 146.63 27.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -132.75 122.88 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.24 127.45 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.5 mtt -116.53 126.45 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -128.51 144.44 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.12 123.65 24.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.29 -32.47 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -84.06 -1.94 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.51 15.15 81.41 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.7 p -83.57 -33.16 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.864 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.0 ptp -158.8 164.15 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -172.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.7 163.42 37.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.23 144.27 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -111.91 120.72 42.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.23 136.27 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.59 147.99 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.7 33.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.51 172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.9 m -130.85 139.73 50.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -78.85 142.8 36.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -112.76 -27.51 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.72 137.35 12.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -140.67 123.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -129.47 100.54 5.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.82 30.44 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 163.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 58.25 22.63 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -109.85 -40.17 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -135.53 125.12 25.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -137.52 124.89 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -124.14 136.95 54.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 50.4 p90 -149.76 164.99 33.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.951 -174.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.49 135.46 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -125.06 100.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.25 -121.35 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -98.41 15.23 25.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -128.79 174.35 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.2 p -130.0 155.31 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -150.17 148.6 29.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -139.82 133.57 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.69 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.16 143.04 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -119.35 120.86 38.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.64 124.62 52.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -89.28 117.57 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.775 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -111.81 159.79 32.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.087 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.3 Cg_endo -64.44 -25.67 63.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 176.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.98 -22.69 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.32 -171.51 44.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.89 129.49 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 111.028 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.2 m -104.98 130.72 53.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.58 127.0 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -113.1 120.07 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -121.94 124.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.7 t -129.51 131.02 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -136.52 154.68 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.785 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.3 t -75.03 130.32 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.92 139.71 52.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.43 127.46 35.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.0 p -62.69 -24.8 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.35 -14.88 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 97.8 m-85 -126.57 142.66 43.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 54.3 Cg_exo -55.06 135.98 71.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.32 -42.5 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.09 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -36.69 84.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.35 -50.55 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.75 -39.76 73.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.14 -51.95 45.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -65.54 -31.61 72.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 110.943 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -63.66 -45.2 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.68 -36.71 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.23 -47.77 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.54 -31.37 70.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.37 -35.44 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.87 -38.8 92.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 127' ' ' PHE . 3.0 m-30 -60.0 -44.59 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.93 -51.7 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.78 -34.0 77.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.72 -46.62 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.74 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.56 -42.62 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 174.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.51 -34.38 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -72.16 -15.52 61.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -99.23 6.49 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 11' ' ' ALA . 90.0 mt -94.96 -11.05 29.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.01 179.275 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -110.15 122.17 47.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.11 128.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -127.12 132.94 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.58 142.14 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -116.38 141.44 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -135.59 135.96 40.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.4 m -116.32 125.02 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.17 148.56 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.05 63.46 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.34 140.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 111.057 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.84 142.24 33.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.717 2.278 . . . . 0.0 112.387 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.24 -42.8 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.88 -42.59 69.99 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.05 -38.76 75.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.77 -54.78 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -44.93 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 -17.81 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 21' ' ' THR . 77.6 t80 -46.3 -54.11 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.42 HG23 ' CD2' ' A' ' 20' ' ' TYR . 13.5 p -135.14 80.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -110.04 146.99 35.32 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.141 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 81.3 Cg_exo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.624 2.216 . . . . 0.0 112.338 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -118.41 130.03 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.42 141.66 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 172.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -140.45 152.12 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -137.78 130.11 29.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 167.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -127.26 127.35 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -101.71 110.22 22.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 167.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.8 91.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -167.48 156.48 9.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.1 117.38 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.1 -10.76 74.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.482 -175.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 149.89 48.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.99 153.56 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.93 154.99 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 170.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -150.4 146.18 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -136.85 127.22 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -104.23 129.99 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.899 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -124.81 119.26 28.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -129.07 144.82 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -169.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.68 125.32 26.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -54.77 -33.33 61.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -83.07 -0.84 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.08 16.26 80.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 166.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -84.8 -30.07 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -158.38 164.8 35.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -173.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.83 158.93 31.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.405 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -132.53 141.37 48.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -111.95 123.03 49.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.26 134.95 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.2 162.97 30.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.6 m -139.19 143.42 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -79.28 141.12 37.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -114.99 -29.97 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -153.7 135.83 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -140.51 123.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.98 98.97 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.0 30.45 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 166.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 58.45 22.87 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -110.78 -43.91 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.71 123.3 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.5 mt -137.67 124.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -121.62 138.81 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.25 166.15 30.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.51 133.23 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -125.39 104.1 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.96 -126.3 31.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -97.35 19.89 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.87 174.18 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -132.38 157.81 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 153.8 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -142.47 137.21 30.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.95 137.58 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -122.98 143.29 50.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.86 123.56 47.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 128.05 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -82.88 120.22 25.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -103.53 161.81 21.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.521 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 56.7 Cg_endo -68.92 -29.93 27.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -100.78 -10.18 21.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.97 -167.08 37.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.405 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.0 t -121.69 131.75 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -110.04 138.89 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.62 130.58 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.16 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -116.09 119.99 37.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -122.3 128.39 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -122.58 133.83 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -118.86 153.41 34.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.51 128.18 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 160.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.57 152.19 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -79.99 151.94 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.9 p -88.4 -24.75 22.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.46 -10.55 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -128.59 145.99 58.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.87 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.02 145.61 74.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.92 -31.74 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.51 -43.95 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.84 -39.42 90.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -66.37 -48.35 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -60.9 -47.7 85.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.63 -38.59 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -49.22 63.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -68.72 -35.27 76.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.659 0.266 . . . . 0.0 110.885 -177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -65.04 -44.0 90.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.89 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.056 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.18 -44.27 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.64 -32.39 73.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.92 -38.59 91.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.7 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -57.71 -51.87 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.86 -36.48 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.15 -47.98 80.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.733 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.69 -45.1 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.75 -36.96 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -69.35 -17.97 63.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -99.98 3.27 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.0 -6.06 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 178.106 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 CA--C 1.526 0.025 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -109.94 128.25 55.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.7 mt -112.13 129.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.0 m -125.33 134.54 52.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.27 142.71 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -121.23 141.68 50.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -139.09 138.67 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -120.52 128.5 53.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 m -127.95 149.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.79 64.15 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.14 150.1 57.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 111.087 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.39 141.12 73.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -52.4 -41.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.65 -43.07 68.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.76 -36.24 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.961 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.58 -55.14 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -67.71 -33.69 75.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.65 -43.06 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -19.83 61.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -48.71 -42.18 34.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -136.69 80.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.2 p -119.78 144.98 38.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.563 0.696 . . . . 0.0 111.159 162.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 176.146 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.869 0.366 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.7 m -135.67 140.42 44.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 171.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.05 131.1 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.36 138.44 47.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.3 m -130.41 129.67 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -130.31 125.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 -173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.93 104.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.818 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 tp -82.84 100.7 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -167.95 159.73 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.17 111.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.47 -5.09 80.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.46 151.0 37.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 152.42 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 111.01 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -143.19 155.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -152.89 146.15 24.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -141.09 127.7 20.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -109.87 129.93 55.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.13 135.38 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -129.18 145.99 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 146.61 54.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.68 -34.57 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.48 -0.8 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.38 77.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -86.23 -22.01 27.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -159.99 165.15 32.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.07 170.05 42.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -134.95 144.66 47.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -106.81 120.08 41.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 137.51 48.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.25 147.74 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.23 168.24 33.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -131.56 139.37 49.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 111.132 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -77.27 142.09 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.5 p -112.9 -27.03 8.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -157.21 136.24 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -140.26 123.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.089 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -129.78 101.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 53.38 30.51 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 164.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 58.91 20.57 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.784 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -110.15 -40.02 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -130.19 119.85 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.4 mt -135.8 118.46 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.92 138.66 53.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -149.86 165.05 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.97 133.15 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -125.08 100.07 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -123.97 27.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -96.3 15.44 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -134.67 175.03 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -131.62 156.07 46.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.54 150.5 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -137.14 135.85 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.0 134.33 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -125.1 142.69 51.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -118.08 124.16 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 tp -115.06 124.15 50.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -88.31 118.84 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.51 158.97 37.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.579 0.704 . . . . 0.0 111.07 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 41.0 Cg_endo -64.4 -25.37 63.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.81 -24.72 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.989 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.45 -171.69 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -114.04 127.93 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 111.14 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 m -104.44 129.7 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.15 124.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -112.81 121.16 43.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.49 124.05 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.1 t -127.61 132.49 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -137.58 155.29 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.1 t -83.58 132.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.98 145.75 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 89.0 tt0 -92.25 129.0 38.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 175.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.9 p -66.11 -21.29 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 74.4 mm-40 -72.79 -12.76 61.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -128.08 142.18 43.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.709 0.766 . . . . 0.0 110.869 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.99 136.49 73.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.66 -42.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.25 -41.48 96.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.51 -37.22 86.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -70.71 -42.55 70.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -61.58 -51.93 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.32 -39.39 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.7 48.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -66.02 -33.23 75.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.655 0.264 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -63.75 -45.36 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.96 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.45 -46.42 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.2 mp -68.75 -33.7 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.61 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -60.62 -42.45 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -58.82 -48.35 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.1 -34.87 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -63.54 -39.83 95.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.4 -44.93 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 172.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.27 -32.38 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -67.48 -20.03 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.23 6.06 42.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.9 11.9 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 178.214 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.811 0.338 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.6 120.82 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.05 130.67 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -124.84 129.85 51.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.8 t -134.81 141.22 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -122.91 145.96 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -146.81 140.1 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -115.44 125.29 52.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.34 149.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 63.61 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.05 149.0 50.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -65.1 141.3 69.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.8 -40.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.06 -42.75 82.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -74.02 -34.02 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.983 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.51 -53.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 -172.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -67.01 -30.87 71.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.69 -45.32 79.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.73 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -45.47 -43.59 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -134.7 87.17 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -121.29 149.7 52.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.131 163.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 48.0 Cg_endo . . . . . 0 C--N 1.34 0.116 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.913 0.387 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.6 m -128.63 131.89 48.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.78 41.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -138.72 138.57 37.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -133.89 129.17 36.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.04 134.99 61.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -111.01 100.67 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 166.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -80.52 99.66 8.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -168.88 159.75 9.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.78 111.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.91 -8.5 76.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.05 150.54 41.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.526 -177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.56 155.4 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.1 155.03 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 170.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -152.71 145.29 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -142.71 129.91 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -105.56 128.65 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mtt -119.19 134.76 55.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -128.32 147.09 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 146.76 54.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -58.4 -32.93 69.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -90.25 -1.01 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.62 76.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -159.99 165.02 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.93 170.82 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -136.97 149.95 47.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -105.62 119.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -104.36 132.33 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.35 141.91 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.32 170.76 34.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.57 138.89 50.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 111.154 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -76.05 140.83 42.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.9 p -111.43 -27.67 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -158.5 136.18 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.03 125.39 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.15 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.5 99.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.44 32.11 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 164.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.73 21.23 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -109.94 -40.1 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -131.17 119.98 22.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.3 mt -133.22 117.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.17 137.71 54.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 38.5 p90 -149.16 163.18 38.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.81 143.99 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -137.53 103.7 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.47 -119.97 12.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.5 8.79 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mtm105 -116.4 166.81 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.6 p -129.95 157.81 41.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -149.98 146.14 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 175.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -138.91 134.13 32.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.97 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.58 133.71 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -124.88 147.23 48.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -120.06 126.59 51.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.02 122.16 46.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -86.0 120.33 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -118.34 158.46 46.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.086 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.0 Cg_endo -63.71 -24.99 68.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.67 -25.72 15.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.59 -169.57 41.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -176.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.02 128.06 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 111.065 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.9 m -101.65 130.0 47.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.63 124.19 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -113.1 121.67 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.19 125.02 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.156 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -128.01 126.88 42.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -143.05 159.28 42.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -171.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -83.62 133.61 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.27 141.8 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -74.12 124.89 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.8 p -66.64 -25.85 66.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.89 -17.06 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.74 155.02 75.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.713 0.768 . . . . 0.0 110.894 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 139.76 83.98 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.261 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.46 -43.98 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.057 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.32 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.12 -39.0 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.23 -39.95 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.63 -47.26 86.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.98 -36.07 82.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.81 -48.97 71.59 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.689 0.281 . . . . 0.0 110.917 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.3 -43.22 98.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 176.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.34 87.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.42 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.87 -34.4 73.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -65.5 -40.8 93.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.11 -36.92 82.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.92 -45.64 86.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.54 -44.01 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.41 -35.01 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -64.5 -43.16 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.3 -43.65 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.95 -36.95 85.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.4 p -85.78 -22.77 27.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -93.26 -13.05 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.77 32.89 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -108.84 126.75 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.95 129.53 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -122.09 131.4 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -133.38 141.36 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.98 144.63 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -145.77 138.73 25.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -116.61 128.58 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -173.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.16 148.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.59 63.7 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.77 148.31 52.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.086 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.34 140.9 72.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.764 2.309 . . . . 0.0 112.322 176.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -52.38 -41.52 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.12 -43.99 73.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.06 -33.81 70.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.8 -54.46 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -70.73 -30.96 67.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -64.86 -43.87 91.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.31 -18.17 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -53.17 -41.67 65.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -174.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 p -135.65 79.85 1.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 p -124.48 147.49 55.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.058 158.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 178.027 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.7 m -135.16 133.48 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.8 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.71 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 171.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.68 126.17 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -93.37 108.58 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.09 84.0 7.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -169.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -165.19 156.96 15.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.01 119.66 8.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.54 -8.29 78.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.36 152.51 48.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.05 150.71 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.011 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -144.77 158.82 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.7 p -153.39 154.89 35.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -137.13 126.07 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -103.9 113.0 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.1 mtt -120.27 134.92 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.84 153.95 48.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.97 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.12 151.81 46.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.95 -34.36 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -91.07 -0.34 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.67 21.65 76.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.44 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.3 p -85.23 -20.62 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -160.0 163.9 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.65 169.66 42.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.23 140.78 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.69 117.78 35.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -105.95 137.56 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.56 145.28 34.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.95 34.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.426 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 m -136.19 143.34 44.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.58 140.35 42.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.0 p -114.2 -28.85 7.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.88 134.36 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.6 t -138.24 124.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.91 99.08 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.05 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 52.99 29.83 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 58.07 23.32 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -108.14 -42.48 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.99 124.45 29.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.0 mt -134.82 127.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.08 135.31 54.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 48.5 p90 -150.94 166.42 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -173.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.7 133.13 55.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -119.54 98.08 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -174.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.94 -124.47 23.55 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -89.88 6.73 40.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 83.4 mtm180 -119.3 175.21 5.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.8 p -127.26 156.24 42.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -151.14 147.47 27.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -138.61 131.46 29.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.28 135.14 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.31 142.61 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -116.23 121.04 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.28 128.01 56.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -83.44 121.19 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -112.42 159.28 34.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.504 0.668 . . . . 0.0 111.126 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.3 Cg_endo -63.87 -29.01 67.46 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.28 -24.87 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -175.28 -163.94 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -175.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.26 129.7 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 111.122 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.9 m -101.44 129.96 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.82 124.32 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -115.9 120.65 39.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.85 124.04 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t -123.95 129.01 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -142.14 159.02 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.1 t -77.39 135.81 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.72 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -76.46 128.46 34.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.9 p -69.01 -25.93 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.15 -14.45 60.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.08 147.13 58.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.705 0.764 . . . . 0.0 110.887 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.05 141.34 79.52 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.28 -33.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.58 -39.24 84.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.4 -41.77 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.36 -43.44 66.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.7 -49.79 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.57 -40.95 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.65 71.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.754 0.312 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.65 -39.88 95.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.05 78.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.68 -43.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.05 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -67.05 -35.94 80.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.69 -47.78 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 171.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.93 -50.24 74.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.4 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -62.22 -44.26 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.25 -43.94 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 174.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.02 -33.49 74.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -74.61 -20.41 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -100.74 -9.03 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.6 35.27 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -175.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -110.3 124.66 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.4 127.76 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.3 m -121.83 130.93 53.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -134.72 142.24 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.59 142.49 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -140.54 128.8 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.2 m -102.06 126.69 49.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.24 147.85 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.28 65.41 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.86 148.56 52.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.66 138.51 64.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.2 -33.4 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.148 -166.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.72 97.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.91 -30.8 65.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.9 -55.16 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -73.73 -26.98 60.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.32 -45.0 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.06 -22.95 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.147 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -58.9 -32.67 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.3 p -123.59 71.22 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.123 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -122.88 156.02 62.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 111.123 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.607 2.205 . . . . 0.0 112.328 174.018 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.862 0.363 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -132.95 128.62 36.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.86 132.42 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.9 46.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -122.64 125.97 46.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 169.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.37 123.92 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -171.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -102.49 106.29 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 167.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.85 89.52 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -173.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -164.84 158.79 17.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.11 118.1 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.02 -6.08 82.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.04 158.65 52.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.69 152.09 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.88 156.88 45.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 171.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -151.46 142.48 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -131.89 125.09 30.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.784 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -114.98 125.39 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -113.54 132.92 55.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -129.02 146.24 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.12 146.28 49.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.6 -29.3 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.917 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -95.08 -0.06 53.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.1 21.93 75.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -86.64 -24.54 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.424 . . . . 0.0 110.939 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.96 164.4 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.49 168.99 42.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.26 148.11 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -118.9 118.64 32.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.36 139.0 49.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 147.76 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.32 167.65 33.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.9 m -134.49 138.92 45.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 111.093 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -76.87 139.9 40.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -111.76 -25.14 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.86 133.01 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.76 126.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.33 100.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.29 29.66 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 57.79 22.4 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -106.19 -39.66 5.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -129.15 118.35 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -129.74 123.02 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -172.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.0 134.75 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -150.49 168.48 24.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -173.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.38 132.26 56.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.49 106.09 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.76 -126.09 29.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -97.02 11.13 37.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -119.06 170.46 9.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.0 p -124.08 153.14 41.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.81 149.28 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.03 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.46 129.76 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.7 t -121.58 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.14 143.61 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -117.13 130.81 56.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 tp -118.08 123.85 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -90.13 117.09 28.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -109.79 161.99 22.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.052 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.4 Cg_endo -66.82 -26.78 44.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.81 -25.67 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -173.31 -171.68 38.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.27 131.57 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.917 0.389 . . . . 0.0 111.056 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.3 m -106.68 133.54 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.68 127.92 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.163 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -114.35 123.06 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.42 123.06 69.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.197 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -125.95 123.04 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.67 159.23 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -170.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.89 133.58 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.84 133.18 47.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -62.56 129.68 41.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.7 p -73.64 -26.15 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.27 151.9 70.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.71 0.767 . . . . 0.0 110.941 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.72 145.68 81.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.271 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.66 -33.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.48 -43.38 97.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.96 -41.39 95.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.04 -50.29 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.41 -40.88 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.82 67.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -70.98 -31.07 67.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -62.72 -41.71 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 170.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.22 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.02 -46.06 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.1 -32.0 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.35 -38.54 91.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 173.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.09 -37.46 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.47 -44.78 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 173.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.66 -47.89 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 -34.89 79.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.46 -45.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.78 -31.78 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -75.09 -20.61 59.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.6 -11.57 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.77 35.21 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 177.619 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -106.61 128.52 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -111.54 129.67 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.2 m -122.67 132.74 54.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -132.32 139.98 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -122.77 137.03 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -138.57 134.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -111.32 124.76 52.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.41 148.38 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.6 68.01 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.34 144.5 31.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.9 140.28 48.74 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.42 -43.61 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.96 92.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.82 -36.42 70.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.05 -55.77 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -66.26 -35.34 80.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -69.08 -43.08 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -19.73 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -53.73 -40.13 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -130.82 75.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -124.13 129.01 24.89 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 121.506 0.669 . . . . 0.0 111.134 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 83.2 Cg_exo . . . . . 0 C--N 1.34 0.129 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 97.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.893 0.377 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.1 m -127.71 134.39 49.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.59 123.21 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -139.79 146.33 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -176.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -131.2 130.01 42.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.68 125.36 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -170.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -104.44 108.88 20.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 166.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.23 91.63 8.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -167.04 158.24 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 117.66 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.75 -11.32 72.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.553 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.71 150.55 41.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.81 153.04 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.025 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -144.04 156.39 44.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 173.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -151.8 141.13 21.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -136.28 125.1 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -113.22 129.67 56.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.2 mtt -118.17 138.0 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 56.7 mm-40 -130.17 151.01 51.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 149.66 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -58.07 -29.85 65.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -95.1 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.34 21.15 77.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 172.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.2 p -83.3 -22.29 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.857 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.1 ptp -156.34 164.77 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -176.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.27 39.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.426 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.98 148.47 50.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -115.57 120.64 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.28 141.13 48.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.09 147.37 46.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.35 167.55 33.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -138.51 142.48 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -80.84 138.36 36.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -114.45 -26.44 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.201 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -155.11 135.29 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.8 t -139.48 125.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.039 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.26 99.2 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -175.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.58 31.45 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 166.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.65 21.95 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -111.69 -40.19 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -134.3 126.36 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -135.06 126.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.75 135.52 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.12 166.52 29.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.77 131.14 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -119.07 100.0 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.48 -127.68 23.64 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.402 -174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -92.73 11.82 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -120.07 175.74 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -128.39 154.34 46.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.97 146.82 27.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -137.45 130.26 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.02 134.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -124.05 144.6 49.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.49 126.68 51.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.91 132.45 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.77 120.44 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -111.21 159.03 34.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.025 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.3 Cg_endo -64.14 -28.98 65.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -95.9 -22.42 17.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -178.94 -164.46 31.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.412 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.35 129.74 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 m -105.41 133.9 49.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -174.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.04 127.19 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.66 125.62 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.39 126.99 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.7 t -123.06 127.73 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -140.54 158.17 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -170.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.05 133.17 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.22 133.83 45.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.88 126.34 29.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.5 p -68.6 -26.81 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.58 -17.75 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -124.89 152.1 69.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 144.2 69.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.57 -44.16 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.69 -36.94 85.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.62 -42.02 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.21 -48.66 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.49 -40.15 73.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -47.63 79.97 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.4 -33.02 66.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.279 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.06 -39.4 92.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.18 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.57 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.27 -38.02 88.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.26 93.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.83 -47.24 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.74 -51.59 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.67 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.75 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.87 -45.74 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.72 -35.94 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.0 p -75.77 -20.97 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -105.23 -12.97 15.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -115.14 41.89 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 178.733 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 99.0 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.71 137.43 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' GLN . 4.9 mp -98.01 128.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -165.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.6 m -121.15 132.0 54.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 171.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.47 156.35 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.21 140.0 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.2 m -136.13 135.2 39.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -110.12 120.09 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.03 128.34 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.98 73.64 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -154.73 161.3 29.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.028 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 37.6 Cg_endo -62.93 148.61 93.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 69.5 t -57.04 -50.27 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -166.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.81 97.87 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -66.07 -41.07 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 77.0 t -66.21 -46.47 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -64.8 -41.42 95.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.09 -40.45 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -52.48 -51.1 61.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -134.38 83.9 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.5 m -133.49 128.4 20.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.149 162.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -177.75 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p -127.73 146.56 50.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -168.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.33 137.07 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 168.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.43 145.29 50.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.013 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -132.89 122.11 23.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 163.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.02 136.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -170.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.51 105.62 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.64 89.17 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -169.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -164.63 154.99 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.63 120.2 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.01 -13.5 66.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.429 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.5 158.28 48.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.495 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.34 153.22 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.041 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -142.03 153.58 44.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -148.03 141.36 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -142.16 124.42 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -99.86 128.86 45.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.5 ttm -119.85 130.09 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -130.46 148.62 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.91 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -55.87 -35.77 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -85.95 -2.2 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.51 19.2 77.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.9 p -83.03 -23.08 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.05 164.83 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.12 171.98 44.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.394 173.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.97 143.91 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.31 119.9 39.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -106.79 112.0 24.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.67 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.61 175.0 36.53 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.399 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -130.74 137.93 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -78.14 142.87 37.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.3 p -115.11 -25.04 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.202 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -155.66 134.61 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -141.07 123.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.0 98.89 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.089 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.82 34.07 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 165.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.58 19.78 6.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.49 -31.26 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -134.51 120.72 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.3 mt -136.33 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -125.06 136.65 53.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -151.06 169.23 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -171.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.83 133.21 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -116.84 95.32 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.91 -118.98 9.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -98.8 20.92 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.12 173.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.8 p -131.6 159.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 151.93 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.54 131.25 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.93 131.88 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -126.5 144.86 50.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.24 127.56 54.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.29 127.28 55.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -82.69 120.02 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -116.4 154.45 48.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.07 -26.31 65.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.633 2.222 . . . . 0.0 112.397 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -91.45 -25.82 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 174.94 -167.94 40.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 89.2 t -103.1 123.74 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 m -96.86 124.11 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.85 122.05 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -117.05 124.53 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.98 123.74 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -132.8 126.23 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.36 159.09 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -172.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -83.23 137.66 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -60.94 123.41 17.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.9 142.91 27.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.0 m -65.02 -37.4 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.78 -28.38 61.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.45 115.96 44.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.41 146.94 39.27 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.757 2.304 . . . . 0.0 112.262 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.58 -45.7 59.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.26 -40.24 95.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.8 -38.5 89.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -74.17 -41.11 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.437 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -57.75 -49.96 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.08 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.47 -52.03 38.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -70.65 -32.95 70.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -63.7 -43.09 97.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.41 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.95 -45.01 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.57 -40.46 97.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.56 -33.06 74.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.29 -35.39 78.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -57.35 -40.65 78.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.64 -40.48 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 174.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.28 -35.26 71.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.4 -47.86 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 11' ' ' ALA . 60.2 t -59.97 -45.45 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.14 -38.88 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.0 p -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.26 14.0 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.6 tp -151.98 118.63 5.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.55 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -97.42 121.74 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 5.1 mp -110.54 129.76 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -124.45 137.91 54.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.27 156.96 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.46 138.8 33.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.8 m -141.53 137.37 31.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 m -114.06 125.02 53.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.74 133.08 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.43 72.49 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 131' ' ' VAL . . . -149.52 157.87 38.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.588 0.709 . . . . 0.0 111.051 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.83 145.88 38.22 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.4 t -57.25 -49.52 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.066 -171.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.1 99.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -39.57 92.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 63.2 t -67.64 -48.33 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -66.41 -41.97 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.37 -38.97 85.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.02 60.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.022 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -49.03 -49.42 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.9 m -132.37 83.02 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.4 m -127.92 128.46 23.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.55 0.691 . . . . 0.0 111.11 166.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.601 2.2 . . . . 0.0 112.402 -177.747 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.8 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.2 m -124.46 127.82 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -166.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.47 128.58 45.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 172.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.35 132.2 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -124.96 129.18 49.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -135.59 131.15 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -165.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -110.38 105.35 14.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 162.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.4 mt -84.8 84.53 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -165.11 161.62 19.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.07 114.42 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.53 65.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.41 145.74 29.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 147.23 26.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 t -141.01 136.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -135.27 126.09 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -107.0 121.83 45.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.5 ttp -113.3 127.92 56.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 174.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -129.86 145.96 51.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 144.51 56.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.47 -34.09 70.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -88.22 -0.98 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.16 19.61 77.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -82.14 -22.16 36.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.02 164.93 32.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.15 171.82 44.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -132.19 140.25 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -100.58 119.37 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -107.97 136.62 47.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 145.44 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.04 170.22 34.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.408 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -134.87 139.28 44.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -83.35 137.22 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.5 p -110.32 -21.89 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.176 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -154.69 132.71 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -141.34 122.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.65 101.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 52.17 34.95 15.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 164.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 56.42 22.57 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -114.02 -40.9 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.89 122.03 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.5 mt -136.43 121.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -174.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.87 133.66 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -154.53 173.03 16.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -172.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.85 127.98 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -114.7 96.75 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -170.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.26 -128.24 24.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.555 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.36 16.01 8.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -134.62 -179.99 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -127.23 158.05 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.74 151.49 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.91 131.84 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.3 t -114.41 130.82 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.32 144.42 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.19 128.14 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.99 127.79 56.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -84.02 120.03 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.53 155.46 47.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.154 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.13 -26.54 72.95 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.39 -25.07 17.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.16 -169.36 41.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 13' ' ' VAL . 83.1 t -107.91 123.53 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -101.17 130.33 47.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 124.05 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -117.74 125.86 51.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -121.31 123.87 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -123.55 130.48 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -139.79 155.9 47.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.78 138.29 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -65.18 131.3 46.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -176.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -100.28 144.33 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -66.69 -37.52 84.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -75.67 -28.96 58.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -111.57 121.37 40.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.98 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -52.79 142.98 49.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.26 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 67.3 t -55.4 -46.7 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -37.78 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.58 -40.46 95.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.55 -43.03 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.14 -48.67 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -68.91 -38.51 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.71 -48.95 66.89 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -66.57 -35.64 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.09 82.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.49 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.34 -40.2 93.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.92 -36.68 85.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.44 -40.38 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.962 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -61.13 -41.91 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.98 -46.81 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.25 -46.5 88.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 11' ' ' ALA . 54.1 t -60.69 -45.78 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.98 -35.5 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.3 p -74.93 -19.88 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -120.01 8.41 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.6 120.98 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -178.069 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 98.9 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.49 141.4 36.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.27 127.32 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -165.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -119.96 135.03 55.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.27 140.45 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -137.58 135.66 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -138.37 141.19 39.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -115.49 130.06 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.9 148.31 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.45 64.65 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.47 144.94 29.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.86 149.95 88.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.24 . . . . 0.0 112.442 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.22 -35.0 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -171.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.89 -44.0 98.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -66.3 -44.72 82.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.884 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.47 -47.56 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -62.75 -44.25 96.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.5 -45.97 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.21 -20.89 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.45 -49.53 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -135.04 79.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.1 m -119.21 126.81 26.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 166.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.567 2.178 . . . . 0.0 112.332 -173.152 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.8 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.862 0.363 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -122.91 136.43 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.31 132.83 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 169.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.28 53.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.12 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -132.13 127.13 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 169.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.3 133.09 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -170.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -94.81 106.75 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 163.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.2 79.78 8.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -169.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -165.31 154.41 12.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.44 124.21 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.35 70.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.402 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.4 158.97 40.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.56 150.98 22.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.062 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -147.78 160.4 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.6 p -152.11 151.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -145.22 126.91 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -112.46 126.47 55.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.9 ttp -118.71 132.68 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -129.48 149.06 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.94 152.06 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.49 -40.32 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -88.37 -0.46 57.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.34 20.03 73.02 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.374 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -80.31 -25.08 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.88 163.71 39.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.88 169.73 42.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -116.62 134.48 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.3 110.66 22.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 172.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -108.64 138.17 45.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.59 156.37 44.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.7 157.64 28.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.4 m -124.35 134.66 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 167.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -75.49 137.5 40.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -168.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.7 p -114.36 -24.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.217 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -156.23 132.45 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.5 t -138.98 123.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.91 101.05 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 52.07 32.94 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 168.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 58.37 19.03 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -109.05 -40.13 5.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.63 116.04 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -131.56 127.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.2 137.16 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.67 164.93 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.44 138.47 50.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.34 90.85 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 178.091 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.71 -117.94 7.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.546 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -97.1 15.51 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 110.832 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.1 174.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -130.85 159.56 37.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 155.0 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -139.24 135.05 33.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.929 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 103' ' ' VAL . 62.0 t -115.27 128.59 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.94 145.81 49.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.97 129.91 55.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.26 126.51 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 175.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -86.16 120.48 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.76 158.34 39.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 176.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.2 Cg_endo -64.07 -26.81 65.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -96.11 -27.07 15.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.506 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -177.84 -169.11 38.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.65 131.54 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 111.076 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.5 m -106.29 130.44 54.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -116.96 129.01 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.51 127.09 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 90' ' ' VAL . 60.4 t -120.51 122.21 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -131.68 132.8 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -137.51 155.37 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.92 139.23 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -70.07 140.21 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -175.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -86.36 149.33 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.9 m -79.12 -40.53 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.82 -24.32 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -174.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.0 m-85 -110.94 136.41 20.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 76.2 Cg_exo -55.43 140.88 82.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.38 -45.82 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -65.57 -44.21 87.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.978 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 9.0 mm-40 -74.64 -34.63 62.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.003 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.61 -43.13 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.81 -46.66 88.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -70.95 -37.51 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.69 0.281 . . . . 0.0 110.95 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.42 -41.49 96.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.77 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.6 tt -75.32 -32.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.8 -36.77 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.33 -34.99 79.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 172.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -64.61 -35.35 80.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 171.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 130' ' ' HIS . 18.9 m-30 -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.47 -44.77 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 170.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.44 -31.43 72.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 127' ' ' PHE . 64.5 t60 -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.55 -44.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.23 -34.43 75.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.4 p -72.4 -16.9 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -113.95 7.28 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 135' ' ' LEU . 3.2 tm? -142.36 110.27 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -178.191 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -97.78 120.4 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.67 126.28 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -122.57 134.18 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.18 140.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -123.44 146.39 48.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -145.27 138.87 26.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -115.81 127.77 55.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.99 128.64 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 69.98 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.95 159.76 31.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 111.075 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -54.18 144.52 58.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.754 2.302 . . . . 0.0 112.318 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.7 t -56.81 -47.49 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -174.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.71 99.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.12 -40.25 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.65 -46.74 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -66.41 -42.55 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.77 -43.62 79.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.49 60.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -49.5 -46.33 48.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.989 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -133.16 74.28 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -113.49 127.2 27.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.521 0.677 . . . . 0.0 111.127 167.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 -176.261 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.869 0.366 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.0 m -127.68 121.38 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.192 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.36 134.31 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.151 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.22 137.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -126.87 125.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 166.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.71 127.05 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -94.67 104.97 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 80.04 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -164.33 157.7 17.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.06 123.1 15.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.29 -7.16 78.36 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.3 40.63 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.479 -176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.91 151.25 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 111.028 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -141.24 155.1 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 173.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -151.49 143.48 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -137.98 126.56 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -110.04 123.65 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.4 mtt -112.59 134.05 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -127.71 145.09 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.8 155.65 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -58.13 -35.05 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.24 -0.96 57.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.22 20.86 71.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.9 p -85.52 -20.72 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -157.34 164.25 37.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.67 170.95 43.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -121.7 137.97 54.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.51 115.78 30.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -104.08 131.27 51.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 144.79 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.22 168.75 35.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -131.73 139.08 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 111.182 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -78.39 142.63 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.9 p -115.0 -23.18 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -160.08 133.85 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.2 t -139.77 123.71 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.67 100.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.057 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 50.06 35.06 9.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 165.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 59.02 19.59 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.21 -38.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -128.36 121.12 28.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.5 mt -130.84 121.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -116.81 136.59 52.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 171.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -149.89 164.91 34.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.71 133.2 55.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.147 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -115.8 95.61 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -121.99 15.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.556 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -94.0 15.33 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 110.881 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -134.05 174.44 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -133.15 159.22 40.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.33 155.13 37.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -134.94 133.68 39.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -114.21 128.99 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.062 175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.35 144.42 50.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.6 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.3 145.25 43.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -89.7 116.28 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -99.02 159.85 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.422 0.629 . . . . 0.0 111.234 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.9 Cg_endo -62.97 -29.39 75.73 Favored 'Trans proline' 0 N--CA 1.466 -0.115 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -90.3 -27.46 19.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.33 -166.65 37.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 94.5 t -100.07 121.67 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 111.06 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.0 m -103.53 129.93 50.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 -174.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.2 t -115.77 126.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -112.02 123.8 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.06 120.89 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 t -126.52 132.25 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -138.5 158.51 44.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.5 t -93.16 135.98 26.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 176.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.06 154.16 35.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.08 154.19 29.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -79.9 -36.58 36.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 175.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.16 -15.1 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.67 145.31 49.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.681 0.753 . . . . 0.0 110.929 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.4 142.95 74.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.25 -31.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -176.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.09 -43.44 92.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.43 -40.5 85.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.65 -42.26 82.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -57.89 -51.02 71.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -69.85 -42.5 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.31 51.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.63 -39.67 94.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.89 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.23 -45.38 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.9 -34.97 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.97 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.34 -40.84 97.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 173.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.26 -39.09 91.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.23 -45.39 93.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -65.27 -33.76 76.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -66.03 -40.62 91.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.06 -40.0 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.58 -36.03 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -67.23 -17.56 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -105.01 -2.88 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.7 tp -142.81 114.89 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.23 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -100.11 120.5 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 80.7 mt -103.46 127.82 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 174.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -121.03 132.49 54.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -132.15 139.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -124.71 136.08 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -136.61 133.86 36.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -114.95 125.54 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -120.59 133.27 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.17 72.18 10.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.022 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.81 160.99 30.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.036 -176.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.02 144.98 54.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.381 174.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.92 -34.38 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -45.99 94.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -66.74 -44.28 81.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.864 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.18 -45.9 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -65.93 -43.65 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.99 -35.04 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.39 -23.19 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.22 -41.73 89.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.1 p -135.05 70.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -124.68 117.53 26.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.52 0.676 . . . . 0.0 111.23 164.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.414 -179.203 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -130.27 135.46 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -169.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 137.46 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.88 146.05 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.048 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -132.71 126.38 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 165.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.9 125.6 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -90.96 112.19 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.62 79.31 9.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -165.95 157.23 13.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.91 124.01 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.11 -8.89 78.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.0 152.57 48.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.01 152.68 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -144.86 157.29 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 172.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -151.68 152.08 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -141.67 126.02 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -107.17 126.12 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.4 mtp -119.22 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -132.09 150.3 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.6 141.19 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.009 172.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -52.76 -38.53 61.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -85.01 -0.79 55.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.06 19.6 77.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.439 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -83.8 -26.44 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 -176.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.93 163.78 33.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.834 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.22 169.51 42.64 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.0 137.57 47.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.08 120.08 40.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.13 137.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.68 145.03 33.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.19 171.03 35.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -138.48 144.03 39.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.727 0.299 . . . . 0.0 111.127 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -77.93 143.96 37.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.2 p -115.06 -26.42 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.189 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.62 134.44 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.3 t -141.45 123.32 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.3 98.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 52.43 30.74 8.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 165.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 58.84 21.08 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.79 -39.98 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -130.22 119.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -136.88 125.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.97 136.56 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 174.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.77 166.48 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.09 139.14 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 45.4 p90 -129.68 114.9 16.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.84 -131.61 28.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.531 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.48 23.93 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.826 172.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -133.06 171.99 13.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 58.1 p -132.16 156.14 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.69 154.03 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -139.3 133.61 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.804 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.94 134.99 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -119.26 144.09 46.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -119.96 133.66 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 pp -136.58 143.18 43.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -94.12 119.36 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -101.72 160.12 27.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 111.167 175.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -63.1 -28.62 74.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.768 2.312 . . . . 0.0 112.283 177.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.55 -25.85 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.5 -170.2 42.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.23 124.31 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 m -106.76 131.66 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.11 126.21 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -116.58 122.93 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -175.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.6 127.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.9 t -127.04 128.1 45.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -142.39 160.53 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.51 135.18 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.66 145.53 45.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 -173.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -77.76 155.3 31.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.0 m -81.5 -37.27 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.66 -20.07 54.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 87.3 m-85 -115.67 137.54 23.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 62.0 Cg_exo -55.0 143.78 71.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.3 t -56.72 -45.53 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -37.4 87.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.8 -39.9 95.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -73.06 -39.67 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.15 -48.18 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.989 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -72.13 -41.22 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.97 90.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -68.83 -38.16 79.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.671 0.272 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -62.53 -40.04 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.42 79.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.059 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.04 -45.07 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.26 -37.72 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.99 -36.23 83.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.12 -41.01 99.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -62.9 -42.89 99.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -50.78 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -67.89 -34.94 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.09 -46.98 81.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.46 -41.21 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -73.3 -10.84 60.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -107.38 1.71 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.8 tp -149.73 119.2 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 178.429 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -100.09 120.02 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.0 mt -102.83 128.86 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.0 m -121.15 132.8 55.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.11 157.03 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -141.84 136.69 30.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -140.91 133.87 29.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.1 m -112.05 125.65 54.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.46 131.08 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 75.79 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -156.91 157.44 30.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.013 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.74 145.72 59.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.76 -36.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -175.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.93 96.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.81 -42.95 80.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.822 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 71.0 t -67.61 -49.74 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.057 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 46.9 m0 -65.21 -42.28 93.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -174.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.25 -41.12 86.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.834 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.1 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -47.85 -55.05 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -135.53 86.45 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.0 m -127.63 129.64 23.78 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 166.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.283 -178.157 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -122.55 116.4 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 -169.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.53 134.4 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.58 138.52 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.074 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 122.03 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 168.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 51' ' ' PHE . 6.5 m -130.78 135.67 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -100.51 107.86 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 164.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.93 88.33 7.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -165.57 157.13 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.28 119.2 7.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 173.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.45 -8.39 79.93 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.79 152.01 43.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.87 152.36 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 111.057 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB2' HG12 ' A' ' 43' ' ' VAL . 54.6 p90 -144.77 158.32 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 174.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -149.83 152.15 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -142.23 130.88 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -113.16 126.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.9 ttp -115.32 129.9 56.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -130.06 148.0 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.2 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.03 -39.03 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.08 -0.06 56.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.09 21.09 76.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -82.22 -24.99 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.982 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -158.14 163.99 37.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.877 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.06 40.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.47 140.28 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.7 120.96 43.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.52 137.64 49.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.49 144.93 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.26 171.07 35.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.9 m -134.97 142.0 46.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -77.51 143.01 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.7 p -113.4 -25.02 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.15 135.52 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -140.96 122.44 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -132.65 101.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 50.85 33.33 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 165.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 78.5 m-20 56.34 20.75 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -114.79 -36.14 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -130.27 119.15 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 171.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.428 ' HB ' HG13 ' A' ' 90' ' ' VAL . 90.0 mt -137.44 128.91 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -176.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.38 135.21 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -145.02 162.14 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.35 137.32 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.126 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 48.7 p90 -128.39 115.08 17.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.892 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.66 -129.81 27.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -97.63 26.25 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.24 170.34 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -132.38 156.7 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.16 154.96 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.26 132.06 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 79' ' ' ILE . 5.0 p -117.96 134.81 60.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -124.05 146.05 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -116.34 123.35 47.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.19 128.3 56.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -85.42 118.11 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.91 157.71 44.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -63.8 -27.01 67.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.291 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.14 -26.34 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.7 -167.74 39.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.533 -176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -109.6 124.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.137 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.7 m -102.32 128.68 48.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.56 122.35 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.17 127.47 51.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.75 129.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t -123.24 126.89 47.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -144.51 159.33 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.37 135.02 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.67 144.91 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -83.51 124.59 30.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -61.56 -30.03 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.191 -173.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.52 -18.31 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.44 151.31 56.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.978 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -65.86 146.81 84.19 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.35 -42.19 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.1 -45.06 87.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.21 -40.46 94.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.36 -40.41 81.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.48 -47.69 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.44 -34.97 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.59 63.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -70.24 -34.49 72.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.665 0.269 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.37 -40.16 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.53 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.58 -46.15 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.69 -37.0 85.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.05 -37.11 86.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.31 -40.98 98.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -65.12 -43.52 91.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -64.17 -50.12 69.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -64.93 -32.71 74.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -60.09 -47.42 85.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.43 -42.79 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.16 -36.65 78.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.5 p -75.58 -18.9 59.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.95 7.2 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -178.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.7 tp -152.26 118.2 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.108 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -80.05 141.75 35.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 4.9 mp -107.77 129.38 61.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -166.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -121.09 134.33 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.32 139.97 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -130.53 135.27 47.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -136.08 136.4 40.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.6 m -116.6 129.54 56.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -125.18 133.7 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.3 76.28 9.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -175.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -147.83 157.29 44.05 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.603 0.716 . . . . 0.0 110.979 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.33 144.09 62.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 174.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.48 -35.3 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -39.17 80.45 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.52 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -64.96 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -174.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.468 HG21 ' HB ' ' A' ' 99' ' ' VAL . 67.1 t -63.98 -46.73 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -66.78 -46.79 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.63 -41.69 87.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.93 -12.82 59.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -44.88 -49.78 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -168.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -132.98 88.8 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -123.38 126.76 25.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.53 0.681 . . . . 0.0 111.196 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 C--N 1.34 0.127 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -172.295 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -120.01 128.59 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.99 134.03 55.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.117 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.63 129.03 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -130.26 130.8 45.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 170.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.16 135.31 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -96.21 108.01 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 163.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.6 77.23 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -169.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -166.77 155.31 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.51 123.72 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.41 -3.72 66.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.9 161.89 42.35 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.11 145.0 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.061 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -131.92 143.4 50.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.5 t -150.41 131.54 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -133.01 126.07 31.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -113.3 119.73 38.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.2 ttt -111.68 130.01 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -131.72 149.35 52.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.0 145.7 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -51.59 -38.18 53.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.31 -0.97 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.97 19.47 67.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 172.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.3 p -82.97 -26.13 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -155.49 163.6 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.95 173.89 46.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 170.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.94 141.6 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -116.64 115.49 25.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -110.58 125.99 53.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.33 154.99 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.032 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.26 160.55 34.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.4 m -119.77 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.212 167.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -75.96 137.31 40.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -168.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.2 p -112.48 -22.18 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.18 132.61 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.61 122.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -128.92 101.55 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.47 33.57 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 165.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 59.74 18.42 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.77 -40.89 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.7 117.84 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.49 125.43 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -127.16 136.93 52.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.02 164.51 32.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.53 136.74 52.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.46 91.65 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 -117.93 8.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.575 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -97.04 15.19 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.79 174.22 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.1 p -130.87 158.82 39.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.2 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -134.68 131.39 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -173.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.54 127.49 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.61 144.7 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -118.63 132.73 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.7 mt -124.54 136.38 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -91.91 114.52 27.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -101.07 159.76 28.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 0.0 111.136 172.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.7 Cg_endo -62.83 -28.17 75.64 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.19 -28.35 16.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 179.6 -171.43 43.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.524 -176.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' VAL . 95.3 t -101.87 127.68 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.3 m -104.01 125.62 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -114.81 124.71 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -117.54 124.66 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.57 124.25 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.3 t -130.58 132.78 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 50.0 p90 -139.15 156.6 47.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.36 135.97 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.3 139.24 52.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -173.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -80.11 148.1 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -40.07 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.63 -22.32 50.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -113.26 136.74 21.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.09 143.85 72.13 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.625 2.216 . . . . 0.0 112.342 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.07 -45.02 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.61 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.53 -39.64 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -55.22 -48.88 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -69.99 -43.56 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.01 90.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -69.06 -36.24 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 110.933 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.96 -40.96 97.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.49 96.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.2 tp -73.86 -33.07 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.73 -34.47 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.85 -36.42 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -63.03 -39.64 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 172.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.94 -36.1 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.54 -48.19 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.72 -25.15 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -57.54 -56.01 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.1 t -65.91 -41.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.126 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.68 -38.08 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -64.9 -18.72 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -103.13 13.68 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 11' ' ' ALA . 83.4 mt -106.76 135.51 48.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -86.97 119.9 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -108.38 133.39 53.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.5 m -114.91 132.48 56.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 m -131.28 147.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -140.28 145.09 36.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -168.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -142.34 143.78 32.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -117.13 124.86 50.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.62 132.65 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.04 70.15 10.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.76 35.06 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 111.125 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.73 144.96 51.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.1 t -56.86 -47.3 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.11 95.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.12 -42.26 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -60.02 -43.75 95.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -62.08 -47.38 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.62 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HD2' ' HG1' ' A' ' 21' ' ' THR . 73.9 t80 -65.31 -50.21 66.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HG1' ' HD2' ' A' ' 20' ' ' TYR . 34.7 m -137.86 74.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -129.96 130.99 23.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.582 0.706 . . . . 0.0 111.111 158.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -51.69 -47.66 25.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.409 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.55 -36.01 75.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.74 -34.86 67.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' ALA . 90.5 mt -64.05 -36.88 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 177.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.36 -30.09 66.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -83.73 -34.46 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -80.01 -9.53 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -38.65 98.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 46.24 38.87 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 40.69 48.62 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -77.13 147.38 36.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 -172.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.28 -35.31 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 36' ' ' TRP . 63.3 m-20 -112.18 -39.77 4.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 34.0 t-105 165.06 135.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -135.39 144.47 46.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -87.54 91.18 8.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.3 p -135.27 164.77 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 168.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.8 132.12 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.569 ' HB3' HG21 ' A' ' 26' ' ' ILE . . . -129.84 141.18 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -177.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.2 m -129.26 126.9 40.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 170.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.03 125.1 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -171.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -107.2 100.64 10.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -84.54 95.46 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -172.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -167.47 157.54 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.89 112.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.8 -5.07 69.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.22 147.98 19.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.14 156.29 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.88 154.98 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.4 t -150.68 140.78 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -137.51 121.65 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -108.78 129.89 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 80.1 mtp -119.75 138.03 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -129.68 152.96 48.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.29 150.61 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.74 -36.13 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -89.11 -0.63 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.68 77.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -83.59 -21.35 32.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -156.57 163.48 39.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.64 44.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -146.14 154.97 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -118.5 121.65 40.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -108.81 123.84 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 148.39 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.92 175.09 35.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -130.07 138.19 50.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -81.62 136.29 35.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -111.6 -23.43 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.63 133.28 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -139.64 124.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.99 100.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 50.38 36.36 12.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 165.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 58.47 22.15 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -121.4 -33.91 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -128.95 117.77 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.2 mt -136.66 111.1 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -173.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.95 139.24 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -150.02 165.17 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.76 135.85 53.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -124.04 95.67 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.13 -119.24 13.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -91.14 1.94 56.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 77.0 mtm180 -112.92 166.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -175.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.3 p -131.29 158.92 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.78 151.41 35.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -133.84 129.9 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.92 131.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -125.27 143.64 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -115.49 127.25 55.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.0 tp -117.98 129.39 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -86.37 117.76 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.79 156.24 42.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.715 . . . . 0.0 111.102 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.6 -26.7 69.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -91.94 -27.21 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.04 -169.95 42.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t -106.26 123.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 111.095 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.4 m -104.0 129.92 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.195 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.29 122.26 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.2 128.89 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.94 125.56 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t -117.42 124.41 48.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -141.18 156.42 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.0 t -80.65 136.88 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.33 147.03 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 15.7 tp10 -89.68 129.53 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -65.15 -22.26 66.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 97.6 mt-10 -79.8 -16.0 56.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.17 146.13 52.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.758 0.79 . . . . 0.0 110.9 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.08 142.91 85.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.4 -43.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.29 -42.2 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.04 -38.23 87.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -65.51 -43.87 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.08 -46.61 88.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.84 -42.24 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.51 94.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.696 0.284 . . . . 0.0 110.907 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.15 -39.17 91.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.28 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.76 -47.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.23 -36.72 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.38 -39.95 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.1 -42.15 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.43 -46.22 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.27 -36.08 82.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.61 -46.12 89.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.82 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.7 -39.02 67.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -72.16 -16.54 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -92.9 -3.66 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.7 mt -101.96 -37.11 8.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 56.09 39.14 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -165.03 114.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -178.89 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -85.24 118.36 24.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -103.46 127.7 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.6 m -119.37 133.82 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.5 m -132.75 151.42 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -143.44 143.73 31.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -167.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 151.18 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -125.28 130.1 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.74 142.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.25 70.02 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.08 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.2 154.18 36.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.15 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.14 144.38 58.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.29 -36.44 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.32 94.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.9 -42.19 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.55 -49.85 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.4 m0 -66.75 -44.08 82.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.09 -42.53 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.54 61.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -60.27 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -125.05 74.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.7 m -133.42 128.54 20.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.65 -49.15 18.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.3 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.72 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.51 -35.25 79.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -67.61 -39.68 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.28 -30.37 70.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -75.06 -20.48 59.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' ASN . 52.5 m0 -105.02 9.47 34.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' TRP . 98.9 m-20 -35.12 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' ALA . . . 44.77 42.49 6.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 171.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' ALA . . . 40.15 50.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 171.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.3 p -75.82 149.66 37.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 -171.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -97.3 -36.73 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 63.5 m-20 -111.92 -39.14 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 38.0 t-105 166.01 136.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -136.69 142.51 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 168.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -93.01 95.97 9.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 p -138.08 160.33 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 166.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.28 19.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.87 145.23 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m -131.52 126.42 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.48 128.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -170.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.35 100.16 9.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 164.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -82.54 96.3 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -172.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -166.17 158.96 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.99 115.77 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.02 83.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.35 155.3 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.405 -174.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.27 151.27 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.105 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -142.97 154.97 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 171.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -150.29 142.9 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -138.74 126.29 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -111.05 129.8 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.778 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 79.8 mtp -117.76 136.01 53.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' OE2' ' HA3' ' A' ' 63' ' ' GLY . 44.4 mm-40 -130.07 153.3 48.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.03 149.45 48.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.87 -35.92 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p-10 -88.63 -1.01 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.12 20.73 78.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.45 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -81.48 -19.72 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptp -158.08 161.03 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.499 ' HA3' ' OE2' ' A' ' 56' ' ' GLU . . . -171.78 165.76 38.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.419 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.38 148.7 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -109.0 122.15 46.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -117.72 120.13 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.24 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.172 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 173.05 35.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.3 m -131.54 139.28 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.13 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -79.25 144.33 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -115.02 -23.91 8.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.2 136.38 9.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -141.91 124.85 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.64 101.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 50.61 33.87 8.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 75.9 m-20 56.78 21.63 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -118.04 -30.58 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.89 119.77 21.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.79 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.66 110.34 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -117.64 138.78 51.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -148.5 166.35 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -175.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.1 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -118.89 97.44 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.31 -121.34 20.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -97.06 20.33 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -132.32 172.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.8 p -133.68 158.4 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.67 153.48 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -134.84 130.09 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.14 130.16 65.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -124.01 144.86 49.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -117.23 127.1 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.06 128.05 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.6 116.8 25.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.38 157.49 39.93 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.563 0.697 . . . . 0.0 111.094 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -27.53 69.02 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -92.25 -26.05 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.59 -169.97 42.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.9 t -109.17 125.6 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 0.0 111.092 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -102.56 130.5 49.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.74 122.27 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -117.99 128.02 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.96 124.8 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 t -126.91 129.99 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -141.43 159.65 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -171.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.71 132.28 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.11 142.68 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.8 tt0 -95.19 127.7 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -63.46 -19.13 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -170.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 73.8 mm-40 -77.43 -15.99 59.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.89 141.28 40.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.683 0.754 . . . . 0.0 110.891 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.11 139.51 80.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.71 -45.05 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -42.81 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.83 -35.83 79.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.2 -41.55 81.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.52 -47.34 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.44 -41.45 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.84 -47.6 81.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -67.14 -37.57 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.06 -39.32 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.95 78.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.86 -45.1 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.55 -36.24 83.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.11 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.79 -42.0 95.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.07 -43.52 87.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -57.99 -45.37 86.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.23 -35.88 81.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -66.9 -41.96 86.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.72 -42.17 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.05 -34.21 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.9 p -77.8 -24.11 48.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.58 -4.61 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 tp -97.5 -38.59 9.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.02 43.22 17.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -165.1 114.52 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 176.107 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -106.46 119.31 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -119.17 136.48 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -127.31 140.61 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.98 149.31 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -129.48 140.46 51.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -170.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 150.89 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -125.65 130.08 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.37 149.6 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.14 67.67 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.048 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.29 145.79 19.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 111.044 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.31 143.83 63.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.763 2.308 . . . . 0.0 112.327 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.74 -45.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.45 -42.61 99.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.5 -40.77 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.946 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.78 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.59 -43.57 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -58.61 -43.86 89.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.03 -22.69 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -51.46 -54.18 29.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -127.83 78.34 1.82 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -124.23 153.42 68.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 161.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 43' ' ' VAL . 21.5 Cg_endo -61.4 -40.92 44.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.17 -44.66 94.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.97 -42.21 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 79.2 mt -67.24 -43.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -176.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -90.11 -31.56 17.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -90.14 -9.65 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 1.2 t-20 -76.21 -171.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.55 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.18 112.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -164.99 -167.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -167.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.25 -9.32 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -83.4 10.51 8.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 59.76 40.59 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -93.24 138.27 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 87.4 m -94.98 115.0 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -124.77 135.13 52.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 172.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.37 129.14 20.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -132.16 153.02 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -173.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -136.82 130.15 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.585 ' HB ' ' HD3' ' A' ' 23' ' ' PRO . 82.9 t -129.83 129.77 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -104.56 110.66 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 164.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 45' ' ' LEU . 43.8 mt -85.44 85.91 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -160.32 156.86 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.14 118.4 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 171.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.39 -8.57 78.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.05 152.18 45.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.546 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.04 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -147.97 157.1 43.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.3 p -151.57 151.75 31.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -139.86 127.35 21.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.48 130.02 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.7 mtm -121.28 132.62 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 47.7 mm-40 -130.1 143.37 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 148.41 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.84 -35.6 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -87.11 -2.61 58.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.54 20.02 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -86.74 -21.53 26.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -159.88 164.39 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.56 171.43 44.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.63 148.82 51.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -108.94 128.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.21 133.26 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.55 147.67 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.03 165.84 33.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.432 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -136.44 148.97 48.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.769 0.318 . . . . 0.0 111.119 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -81.61 143.47 31.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -114.47 -27.76 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -151.38 136.25 17.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.5 t -141.43 125.9 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -133.78 102.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 51.83 30.19 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 162.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 62.39 14.76 7.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.847 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -110.11 -40.02 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.927 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -133.38 120.43 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 pt -138.87 147.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.6 140.82 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -144.73 162.65 36.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.74 143.56 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 50.0 p90 -136.89 103.36 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.57 -128.05 29.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.569 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -97.47 21.15 10.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -134.88 170.93 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -135.04 158.43 44.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.69 151.29 37.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -136.54 132.28 35.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 103' ' ' VAL . 61.8 t -115.63 130.69 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -123.72 142.16 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.84 122.79 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.0 tp -110.91 122.88 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.999 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -87.19 119.58 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.58 158.13 46.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 111.146 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.7 Cg_endo -63.67 -25.69 68.9 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.1 -23.89 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.61 -173.37 46.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -177.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.1 128.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.4 m -101.62 130.23 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.5 t -112.88 122.04 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 127.46 53.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 90' ' ' VAL . 60.7 t -118.74 121.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.7 t -124.26 129.75 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -141.39 158.85 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -174.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.41 131.15 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.13 48.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -92.81 160.62 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.2 p -82.1 -25.45 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -85.36 -16.38 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -127.5 120.93 22.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.7 0.762 . . . . 0.0 110.971 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.32 142.9 67.41 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -55.85 -42.43 70.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.77 -35.65 77.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -71.71 -35.57 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.08 -47.21 83.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.62 -42.5 95.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.4 71.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.02 -40.14 71.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.68 0.276 . . . . 0.0 110.886 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -63.88 -39.89 95.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.12 -36.05 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -46.41 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.36 -38.99 85.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.05 -39.43 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.51 -43.83 96.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.79 -42.54 93.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.72 -48.21 81.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.24 -33.61 76.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -69.65 -42.17 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.0 -40.19 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 172.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.75 -32.73 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -85.23 -23.18 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -99.99 -12.34 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.0 tp -148.98 126.89 11.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -47.71 111.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -176.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -161.7 113.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 176.161 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -107.18 119.19 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.97 135.51 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -125.86 140.42 52.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.14 150.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -128.18 140.03 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -170.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -142.72 150.15 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -124.74 127.56 47.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.75 149.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.24 68.67 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.42 22.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.504 0.668 . . . . 0.0 111.137 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -55.12 144.54 69.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.289 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.53 -47.81 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -174.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -41.86 99.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.44 -40.49 89.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.4 t -67.93 -43.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -59.27 -44.78 92.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.16 -41.76 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.98 -22.44 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -46.89 -48.26 21.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -128.83 79.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.06 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -124.56 147.9 57.1 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 161.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 21.0 Cg_endo -58.35 -36.13 97.94 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 175.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -44.3 90.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.34 -38.45 35.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.4 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -63.81 -15.34 58.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -98.97 -38.79 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -83.55 -23.02 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -76.37 179.34 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -28.66 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HB2' ' OG1' ' A' ' 39' ' ' THR . . . -47.9 112.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.3 p -165.08 -167.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -166.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.7 -8.36 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 172.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.83 5.6 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.3 m95 62.95 30.58 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.62 141.57 28.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.8 m -94.99 118.77 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.131 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 32' ' ' ALA . 98.9 m -125.48 132.5 52.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.71 130.89 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -135.23 150.58 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -170.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.0 m -132.57 131.02 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.092 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.05 129.59 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.057 -169.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.58 108.39 19.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 164.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.6 mt -85.16 88.77 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ptt85 -163.14 157.59 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.1 118.79 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.79 -11.23 72.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.74 153.88 44.58 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.68 153.29 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -143.84 155.05 43.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -150.07 144.14 25.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -175.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -138.96 130.06 26.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -112.64 131.47 55.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.3 ttp -122.3 134.11 54.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -133.06 147.64 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.825 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.91 150.73 45.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.21 -35.92 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.35 -2.29 58.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.5 79.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -85.06 -20.51 30.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 ptp -156.98 160.08 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.71 164.32 37.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 173.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -132.38 141.68 48.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -104.81 119.36 38.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -111.27 138.63 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.53 148.64 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.4 166.16 32.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.3 m -134.71 141.57 46.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.137 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -81.11 140.87 34.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -116.25 -29.93 6.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -151.3 135.18 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -138.88 124.98 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.23 101.11 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.86 31.89 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 160.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.25 18.36 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.78 -45.85 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.17 141.36 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 79' ' ' ILE . 19.4 tt -147.54 126.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -121.92 139.98 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -150.77 165.05 34.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.14 132.45 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.094 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -122.15 98.53 5.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.79 -124.77 29.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.541 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -95.2 18.62 11.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.93 174.19 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.6 p -133.03 156.56 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.91 148.02 36.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -137.21 130.06 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.0 134.49 63.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -122.23 139.88 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -116.11 120.55 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 125.64 54.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.996 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.65 122.69 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.91 158.17 46.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.535 0.683 . . . . 0.0 111.109 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.0 Cg_endo -64.31 -25.26 64.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -96.65 -21.71 17.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 175.7 -172.04 45.08 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.33 128.15 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 111.048 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.7 m -101.12 130.53 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.94 121.66 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.01 123.95 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -175.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -116.98 121.85 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -123.54 127.92 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -143.31 160.13 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.4 t -81.89 130.95 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.64 142.72 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.5 tt0 -96.73 131.14 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -20.73 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 96.6 mt-10 -78.7 -18.26 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -128.52 138.88 34.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.689 0.757 . . . . 0.0 110.883 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 141.55 80.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.28 -43.32 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.12 -39.83 93.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -73.21 -35.05 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.15 -49.25 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.13 -41.42 86.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.11 -47.69 78.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -70.8 -39.0 73.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.94 -40.95 99.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.93 84.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.023 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.79 -48.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.18 -34.96 79.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.23 -34.74 78.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -58.53 -40.2 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.574 ' N ' ' CD1' ' A' ' 127' ' ' PHE . 1.5 m-30 -55.74 -51.27 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.35 -42.91 99.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.17 -35.22 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -76.76 -38.08 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.48 -46.42 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.06 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -79.37 -24.76 42.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -107.67 -8.01 16.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.7 tt -143.33 115.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -49.8 109.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -165.11 114.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 178.492 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -108.34 122.51 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -108.52 128.77 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.3 m -120.89 131.25 54.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.67 142.63 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.62 140.64 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -147.89 132.24 17.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -98.38 128.49 44.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.52 -16.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.906 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 59.26 58.23 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 175.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.05 162.77 46.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.02 141.24 79.57 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 0.0 112.288 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.66 -49.79 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.35 99.89 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.481 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.84 -41.77 95.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.11 -45.39 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.2 m0 -66.22 -41.37 90.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.95 -33.29 75.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.52 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.471 ' CD2' HG23 ' A' ' 21' ' ' THR . 39.9 t80 -56.34 -47.19 79.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -175.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 20' ' ' TYR . 45.3 p -129.47 72.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.9 m -122.03 126.47 26.3 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 158.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.96 -39.47 40.38 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.53 -34.97 79.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.44 -39.74 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.839 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.48 -35.23 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.96 -16.48 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -76.24 -23.51 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -101.54 -14.22 17.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -116.39 176.16 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.0 24.71 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.02 25.63 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.5 p -77.75 157.41 30.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -174.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -71.13 -16.11 62.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.926 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -91.42 8.27 37.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.5 m-90 60.7 54.34 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -101.37 145.94 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -108.42 139.84 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.7 m -122.08 137.43 54.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -170.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.24 132.12 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.77 134.63 50.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -123.51 129.64 51.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 130.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.19 105.02 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -81.88 99.21 8.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -169.34 160.23 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.07 110.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -0.59 65.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.421 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.26 149.89 34.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.06 147.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -174.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -131.83 141.92 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 168.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 t -144.05 139.5 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -135.42 121.41 19.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.74 128.18 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.37 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -131.63 144.06 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' H ' ' A' ' 62' ' ' MET . . . -77.47 143.92 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.28 -34.6 61.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -90.36 -0.43 57.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.44 77.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -94.22 -31.73 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.403 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 71.4 mtm -125.21 168.55 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -170.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.96 166.08 31.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.566 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.02 141.9 36.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -112.99 106.7 15.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -110.27 134.34 52.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.41 144.88 34.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.81 167.73 33.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -133.31 137.79 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.79 134.15 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.0 p -109.57 -23.06 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -158.63 135.22 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.5 t -138.06 127.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -127.5 99.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.71 36.68 14.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 165.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 76.1 m-20 57.56 24.5 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 175.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.73 -39.87 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -130.49 112.24 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.92 125.1 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.03 134.36 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.4 168.32 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.28 133.71 55.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -126.0 107.55 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 -124.25 33.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -173.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.29 4.42 54.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.957 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -108.11 166.68 10.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 152.32 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 170.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.1 151.36 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.09 130.05 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.78 127.8 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.31 146.01 49.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -117.07 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 tp -114.65 125.34 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.87 119.69 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -110.38 159.06 33.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 175.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.2 Cg_endo -63.48 -25.37 70.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.294 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -99.44 -31.0 11.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.906 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . -177.02 -156.37 15.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.426 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.32 131.22 55.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.162 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.2 m -99.07 123.33 43.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.7 t -106.94 122.33 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -119.1 124.0 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.73 126.13 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 t -125.6 130.05 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -144.22 161.23 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 -172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.91 135.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.88 97.63 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -50.76 161.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.8 p -75.8 -17.63 59.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.198 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.89 -30.56 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -172.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.22 142.06 41.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.804 0.811 . . . . 0.0 110.816 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.89 141.52 77.55 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.693 2.262 . . . . 0.0 112.376 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.71 -45.66 82.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.0 -43.44 98.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.69 -38.15 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -70.68 -38.7 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.38 -46.05 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.41 -35.11 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.42 77.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.495 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.73 -33.71 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -61.26 -43.69 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.53 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.69 -47.84 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.42 -33.79 73.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.23 -43.3 98.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -38.42 90.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.07 -45.89 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.65 -43.86 98.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.54 -35.1 79.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -67.7 -42.04 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.11 -42.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.8 p -78.34 -22.65 47.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -105.05 -4.24 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.65 114.97 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 51.91 56.92 7.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.74 131.03 49.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -177.675 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.48 122.15 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.61 130.49 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.7 m -119.43 132.38 55.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.26 140.04 50.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -130.07 137.43 50.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -148.47 134.39 19.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.092 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -101.24 125.69 47.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.97 -15.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 60.33 56.21 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 174.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -143.85 162.2 42.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 36.9 Cg_endo -64.61 144.44 84.46 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.72 -48.41 87.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -168.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.83 99.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.475 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.22 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.817 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.1 -41.46 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 7.4 m95 -61.64 -41.37 97.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.31 -42.0 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.05 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CD2' HG23 ' A' ' 21' ' ' THR . 32.2 t80 -57.43 -40.18 77.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' CD2' ' A' ' 20' ' ' TYR . 60.1 p -130.66 69.26 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 175.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -117.95 126.57 27.2 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.567 0.698 . . . . 0.0 111.114 154.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.56 -38.19 53.12 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.784 2.322 . . . . 0.0 112.287 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.84 -35.88 82.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -70.96 -36.61 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.72 -38.45 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.21 -17.12 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -72.72 -33.35 66.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -171.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -109.92 -18.23 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -88.79 177.79 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 57.97 29.83 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -173.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -125.07 26.54 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.2 p -75.91 157.23 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -72.56 -17.2 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -86.17 5.07 35.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 60.07 59.39 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -101.27 140.82 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -123.91 132.03 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -169.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.13 133.23 54.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 171.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.08 134.47 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -174.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -128.97 127.8 42.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.19 132.86 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -117.99 110.22 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 165.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.51 99.74 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -170.08 158.39 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.46 111.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 171.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.32 -3.59 66.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.18 147.07 38.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.434 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.41 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.104 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -132.52 143.85 50.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 170.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -140.71 138.21 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.7 t -131.41 118.94 20.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.88 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.7 115.02 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -119.21 126.24 51.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.61 148.78 42.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.83 143.92 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -53.48 -34.96 59.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -90.1 -0.06 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.24 21.54 75.8 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -85.29 -29.02 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -158.9 164.88 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -173.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.12 169.0 40.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 171.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.83 142.83 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -106.37 117.9 35.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.23 138.92 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.83 146.86 39.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.038 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.74 163.94 30.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.434 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -137.46 140.15 41.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 56.0 m-85 -79.68 137.72 37.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -113.53 -29.12 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -151.67 133.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -136.75 126.32 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.69 101.5 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.76 33.48 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 161.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.97 30.7 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -118.28 -48.96 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -132.07 126.58 34.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.16 129.7 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.8 137.0 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 52.5 p90 -150.3 167.55 26.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -174.214 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.83 135.63 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -125.05 101.69 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.02 -124.07 27.54 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -91.46 -2.22 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.904 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -104.51 169.2 8.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.99 154.85 46.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.05 152.2 31.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -135.79 129.83 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 103' ' ' VAL . 91.1 t -111.85 128.04 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -128.27 141.64 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -109.73 129.73 55.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 168.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.44 119.6 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.67 162.75 18.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.517 0.675 . . . . 0.0 111.137 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 35.4 Cg_endo -62.17 -24.69 76.5 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.719 2.279 . . . . 0.0 112.298 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -98.61 -34.92 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.731 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . 179.55 -159.41 23.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -178.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.5 t -90.41 131.03 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.14 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -98.54 123.44 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 165.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.17 122.22 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 -172.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -118.82 122.46 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 90' ' ' VAL . 61.3 t -124.43 126.55 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -120.25 130.03 54.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.58 155.1 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.83 140.53 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.65 90.71 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -45.81 153.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -65.31 -21.88 66.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -78.94 -21.2 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -111.36 112.62 54.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 111.019 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.92 142.6 63.68 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.348 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.65 -44.01 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.35 -42.17 98.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -39.95 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -71.78 -42.11 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -56.97 -50.24 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -71.12 -40.05 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.22 -49.31 62.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -69.35 -36.68 77.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.681 0.276 . . . . 0.0 110.936 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -63.65 -40.42 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.02 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.12 -45.26 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.94 -37.55 84.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -41.36 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.13 -41.34 94.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.61 -44.73 90.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.88 -34.52 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -71.19 -39.71 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.33 -41.95 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -39.41 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -76.63 -19.79 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -99.63 -5.28 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.3 tp -148.69 112.53 5.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 45.43 60.41 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.86 130.01 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -177.955 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -109.83 129.95 55.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.8 mt -112.34 130.43 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.8 m -127.96 130.95 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 142.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.76 144.04 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.89 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p -140.19 141.52 35.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 m -120.09 129.12 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.18 149.39 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB3' HD13 ' A' ' 135' ' ' LEU . . . -85.65 60.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -140.08 147.76 51.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.115 -178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.09 142.86 82.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.323 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.08 -42.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 -173.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.9 71.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -68.59 -40.23 80.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.25 -55.68 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -170.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -65.33 -34.2 77.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -63.23 -43.65 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.881 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.74 60.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -45.4 -45.42 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.0 m -135.76 84.82 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.2 p -123.48 144.19 43.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.488 0.661 . . . . 0.0 111.153 161.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -61.55 -36.95 73.68 Favored 'Trans proline' 0 C--O 1.23 0.112 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.98 -43.62 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.87 -31.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -47.03 -36.71 8.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 173.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.84 -6.25 56.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -102.03 36.31 2.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -118.24 122.46 43.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -167.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.06 -19.51 64.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 167.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.59 178.42 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 173.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.0 p -70.47 157.02 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.09 -5.17 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -112.27 -42.02 3.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -167.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 58' ' ' LYS . 98.8 m95 -116.6 39.63 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -172.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -133.19 127.4 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 174.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.8 m -109.03 133.56 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.7 m -120.65 135.55 55.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.67 140.99 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.29 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -134.59 129.32 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.47 129.26 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -172.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -112.12 102.0 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.846 166.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.3 tp -82.55 101.61 10.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -168.92 159.51 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.9 111.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 174.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.0 78.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.7 149.85 40.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -142.76 154.94 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 169.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -149.9 146.63 27.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -132.75 122.88 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.24 127.45 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.5 mtt -116.53 126.45 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -128.51 144.44 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.12 123.65 24.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 36' ' ' TRP . 87.9 tttt -50.29 -32.47 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -84.06 -1.94 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.51 15.15 81.41 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.7 p -83.57 -33.16 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.864 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.0 ptp -158.8 164.15 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -172.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.7 163.42 37.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.23 144.27 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -111.91 120.72 42.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.23 136.27 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.59 147.99 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.7 33.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.51 172.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.9 m -130.85 139.73 50.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -78.85 142.8 36.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -112.76 -27.51 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.72 137.35 12.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -140.67 123.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -129.47 100.54 5.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.82 30.44 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 163.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 58.25 22.63 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -109.85 -40.17 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -135.53 125.12 25.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -137.52 124.89 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -124.14 136.95 54.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 50.4 p90 -149.76 164.99 33.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.951 -174.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.49 135.46 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -125.06 100.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.25 -121.35 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -98.41 15.23 25.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -128.79 174.35 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.2 p -130.0 155.31 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -150.17 148.6 29.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -139.82 133.57 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.69 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.16 143.04 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -119.35 120.86 38.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.64 124.62 52.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -89.28 117.57 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.775 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -111.81 159.79 32.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.087 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.3 Cg_endo -64.44 -25.67 63.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 176.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.98 -22.69 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.32 -171.51 44.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.89 129.49 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 111.028 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.2 m -104.98 130.72 53.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.58 127.0 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -113.1 120.07 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -121.94 124.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.7 t -129.51 131.02 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -136.52 154.68 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.785 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.3 t -75.03 130.32 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.92 139.71 52.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.43 127.46 35.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.0 p -62.69 -24.8 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.35 -14.88 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 97.8 m-85 -126.57 142.66 43.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 54.3 Cg_exo -55.06 135.98 71.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.32 -42.5 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.09 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -36.69 84.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.35 -50.55 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.75 -39.76 73.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.14 -51.95 45.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -65.54 -31.61 72.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 110.943 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -63.66 -45.2 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.68 -36.71 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.23 -47.77 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.54 -31.37 70.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.37 -35.44 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.87 -38.8 92.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 127' ' ' PHE . 3.0 m-30 -60.0 -44.59 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.93 -51.7 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.78 -34.0 77.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.72 -46.62 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.74 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.56 -42.62 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 174.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.51 -34.38 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -72.16 -15.52 61.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -99.23 6.49 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 11' ' ' ALA . 90.0 mt -94.96 -11.05 29.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.14 125.73 25.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.01 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -84.34 -62.41 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 -178.83 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -110.15 122.17 47.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.11 128.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -127.12 132.94 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.58 142.14 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -116.38 141.44 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -135.59 135.96 40.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.4 m -116.32 125.02 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.17 148.56 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.05 63.46 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.34 140.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 111.057 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.84 142.24 33.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.717 2.278 . . . . 0.0 112.387 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.24 -42.8 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.88 -42.59 69.99 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.05 -38.76 75.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.77 -54.78 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -44.93 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 -17.81 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 21' ' ' THR . 77.6 t80 -46.3 -54.11 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.42 HG23 ' CD2' ' A' ' 20' ' ' TYR . 13.5 p -135.14 80.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -110.04 146.99 35.32 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.141 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 81.3 Cg_exo -50.05 -45.72 31.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.624 2.216 . . . . 0.0 112.338 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -57.89 -44.24 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.02 -34.97 64.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.03 -30.14 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -46.53 -32.84 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -81.51 -19.9 41.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -91.19 27.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -124.5 116.55 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -164.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.33 -17.02 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' A' ' 37' ' ' HIS . . . -69.03 154.63 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.5 p -78.18 160.28 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -82.29 -7.3 59.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -111.36 -52.33 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.952 -170.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -101.51 11.5 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.416 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 73.4 m80 -137.08 139.63 41.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 174.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.7 m -100.1 129.69 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 170.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -118.41 130.03 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.42 141.66 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 172.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -140.45 152.12 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -137.78 130.11 29.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 167.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -127.26 127.35 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -101.71 110.22 22.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 167.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.8 91.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -167.48 156.48 9.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.1 117.38 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.1 -10.76 74.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.482 -175.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 149.89 48.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.99 153.56 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.93 154.99 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 170.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -150.4 146.18 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -136.85 127.22 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -104.23 129.99 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.899 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -124.81 119.26 28.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -129.07 144.82 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -169.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.68 125.32 26.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -54.77 -33.33 61.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -83.07 -0.84 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.08 16.26 80.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 166.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -84.8 -30.07 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -158.38 164.8 35.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -173.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.83 158.93 31.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.405 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -132.53 141.37 48.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -111.95 123.03 49.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.26 134.95 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.2 162.97 30.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.6 m -139.19 143.42 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -79.28 141.12 37.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -114.99 -29.97 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -153.7 135.83 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -140.51 123.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.98 98.97 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -177.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.0 30.45 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 166.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 58.45 22.87 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -110.78 -43.91 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.71 123.3 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.5 mt -137.67 124.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -121.62 138.81 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.25 166.15 30.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.51 133.23 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -125.39 104.1 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.96 -126.3 31.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -97.35 19.89 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.87 174.18 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -132.38 157.81 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 153.8 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -142.47 137.21 30.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.95 137.58 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -122.98 143.29 50.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.86 123.56 47.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 128.05 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -82.88 120.22 25.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -103.53 161.81 21.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.521 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 56.7 Cg_endo -68.92 -29.93 27.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -100.78 -10.18 21.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.97 -167.08 37.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.405 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.0 t -121.69 131.75 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -110.04 138.89 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.62 130.58 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.16 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -116.09 119.99 37.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -122.3 128.39 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -122.58 133.83 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -118.86 153.41 34.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.51 128.18 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 160.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.57 152.19 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -79.99 151.94 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.9 p -88.4 -24.75 22.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.46 -10.55 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -128.59 145.99 58.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.87 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.02 145.61 74.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.92 -31.74 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.51 -43.95 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.84 -39.42 90.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -66.37 -48.35 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -60.9 -47.7 85.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -175.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.63 -38.59 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -49.22 63.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -68.72 -35.27 76.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.659 0.266 . . . . 0.0 110.885 -177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -65.04 -44.0 90.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.89 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.056 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.18 -44.27 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.64 -32.39 73.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.92 -38.59 91.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.7 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -57.71 -51.87 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.86 -36.48 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.15 -47.98 80.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.733 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.69 -45.1 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.75 -36.96 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -69.35 -17.97 63.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -99.98 3.27 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.0 -6.06 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.6 129.58 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -95.88 -55.12 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 CA--C 1.526 0.025 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -109.94 128.25 55.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.7 mt -112.13 129.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.0 m -125.33 134.54 52.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.27 142.71 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -121.23 141.68 50.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -139.09 138.67 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -120.52 128.5 53.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 m -127.95 149.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.79 64.15 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.14 150.1 57.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 111.087 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.39 141.12 73.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -52.4 -41.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.65 -43.07 68.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.76 -36.24 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.961 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.58 -55.14 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -67.71 -33.69 75.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.65 -43.06 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -19.83 61.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -48.71 -42.18 34.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -136.69 80.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.2 p -119.78 144.98 38.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.563 0.696 . . . . 0.0 111.159 162.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.17 -36.48 80.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.52 -43.77 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -69.89 -40.62 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.4 mt -62.43 -34.37 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -49.93 -35.91 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -80.72 -22.48 40.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.978 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -88.28 -26.68 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 31' ' ' ALA . 47.9 t-20 -73.3 144.26 46.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 170.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 30' ' ' ASN . . . -91.17 -1.07 57.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 155.7 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 173.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 p -68.88 163.71 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.83 2.92 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -105.24 -36.19 7.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -130.12 29.81 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -58.08 120.03 7.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -124.98 89.53 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.7 m -135.67 140.42 44.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 171.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.05 131.1 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.36 138.44 47.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.3 m -130.41 129.67 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -130.31 125.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 -173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.93 104.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.818 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 tp -82.84 100.7 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -167.95 159.73 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.17 111.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.47 -5.09 80.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.46 151.0 37.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 152.42 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 111.01 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -143.19 155.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -152.89 146.15 24.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -141.09 127.7 20.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -109.87 129.93 55.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.13 135.38 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -129.18 145.99 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 146.61 54.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.68 -34.57 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.48 -0.8 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.38 77.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -86.23 -22.01 27.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -159.99 165.15 32.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.07 170.05 42.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -134.95 144.66 47.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -106.81 120.08 41.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 137.51 48.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.25 147.74 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.23 168.24 33.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -131.56 139.37 49.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 111.132 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -77.27 142.09 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.5 p -112.9 -27.03 8.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -157.21 136.24 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -140.26 123.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.089 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -129.78 101.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 53.38 30.51 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 164.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 58.91 20.57 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.784 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -110.15 -40.02 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -130.19 119.85 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.4 mt -135.8 118.46 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.92 138.66 53.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -149.86 165.05 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.97 133.15 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -177.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -125.08 100.07 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -123.97 27.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -96.3 15.44 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -134.67 175.03 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -131.62 156.07 46.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.54 150.5 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -137.14 135.85 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.0 134.33 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -125.1 142.69 51.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -118.08 124.16 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 tp -115.06 124.15 50.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -88.31 118.84 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.51 158.97 37.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.579 0.704 . . . . 0.0 111.07 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 41.0 Cg_endo -64.4 -25.37 63.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.81 -24.72 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.989 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.45 -171.69 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -114.04 127.93 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 111.14 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 m -104.44 129.7 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.15 124.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -112.81 121.16 43.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.49 124.05 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.1 t -127.61 132.49 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -137.58 155.29 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.1 t -83.58 132.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.98 145.75 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 89.0 tt0 -92.25 129.0 38.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 175.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.9 p -66.11 -21.29 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 74.4 mm-40 -72.79 -12.76 61.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -128.08 142.18 43.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.709 0.766 . . . . 0.0 110.869 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.99 136.49 73.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.66 -42.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.25 -41.48 96.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.51 -37.22 86.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -70.71 -42.55 70.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -61.58 -51.93 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.32 -39.39 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.7 48.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -66.02 -33.23 75.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.655 0.264 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -63.75 -45.36 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.96 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.45 -46.42 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.2 mp -68.75 -33.7 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.61 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -60.62 -42.45 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -58.82 -48.35 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.1 -34.87 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -63.54 -39.83 95.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.4 -44.93 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 172.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.27 -32.38 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -67.48 -20.03 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.23 6.06 42.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.9 11.9 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 128.94 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -84.72 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 175.9 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.811 0.338 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.6 120.82 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.05 130.67 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -124.84 129.85 51.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.8 t -134.81 141.22 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -122.91 145.96 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -146.81 140.1 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -115.44 125.29 52.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.34 149.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 63.61 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.05 149.0 50.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -65.1 141.3 69.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.8 -40.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.06 -42.75 82.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -74.02 -34.02 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.983 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.51 -53.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 -172.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -67.01 -30.87 71.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.69 -45.32 79.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.73 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -45.47 -43.59 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -134.7 87.17 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -121.29 149.7 52.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.131 163.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 48.0 Cg_endo -63.58 -33.19 68.5 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.26 -45.07 96.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 175.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.82 -44.53 69.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.72 -39.83 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -176.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -50.31 -27.94 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.89 -18.15 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.06 -24.59 30.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -73.12 155.79 39.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.56 -12.96 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.72 170.71 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.5 p -69.09 164.66 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -172.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -88.24 -0.66 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -113.22 -40.89 3.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -164.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -125.1 26.25 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -174.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -98.65 123.59 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m -94.93 111.48 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.6 m -128.63 131.89 48.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.78 41.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -138.72 138.57 37.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -133.89 129.17 36.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.04 134.99 61.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -111.01 100.67 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 166.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -80.52 99.66 8.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -168.88 159.75 9.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.78 111.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.91 -8.5 76.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.05 150.54 41.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.526 -177.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.56 155.4 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -174.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.1 155.03 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 170.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -152.71 145.29 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -142.71 129.91 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -105.56 128.65 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mtt -119.19 134.76 55.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -128.32 147.09 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 146.76 54.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -58.4 -32.93 69.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -90.25 -1.01 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.62 76.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -159.99 165.02 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.93 170.82 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -136.97 149.95 47.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -105.62 119.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -104.36 132.33 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.35 141.91 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.32 170.76 34.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.57 138.89 50.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 111.154 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -76.05 140.83 42.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.9 p -111.43 -27.67 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -158.5 136.18 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.03 125.39 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.15 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.5 99.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.44 32.11 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 164.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.73 21.23 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -109.94 -40.1 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -131.17 119.98 22.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.3 mt -133.22 117.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.17 137.71 54.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 38.5 p90 -149.16 163.18 38.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -174.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.81 143.99 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -137.53 103.7 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.47 -119.97 12.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.5 8.79 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mtm105 -116.4 166.81 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.6 p -129.95 157.81 41.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -149.98 146.14 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 175.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -138.91 134.13 32.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.97 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.58 133.71 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -124.88 147.23 48.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -120.06 126.59 51.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.02 122.16 46.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -86.0 120.33 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -118.34 158.46 46.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.086 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.0 Cg_endo -63.71 -24.99 68.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.67 -25.72 15.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.59 -169.57 41.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -176.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.02 128.06 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 111.065 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.9 m -101.65 130.0 47.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.63 124.19 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -113.1 121.67 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.19 125.02 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.156 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -128.01 126.88 42.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -143.05 159.28 42.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -171.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -83.62 133.61 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.27 141.8 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -74.12 124.89 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.8 p -66.64 -25.85 66.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.89 -17.06 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.74 155.02 75.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.713 0.768 . . . . 0.0 110.894 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 139.76 83.98 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.261 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.46 -43.98 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.057 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.32 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.12 -39.0 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.23 -39.95 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.63 -47.26 86.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.98 -36.07 82.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.81 -48.97 71.59 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.689 0.281 . . . . 0.0 110.917 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.3 -43.22 98.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 176.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.34 87.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.42 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.87 -34.4 73.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -65.5 -40.8 93.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.11 -36.92 82.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.92 -45.64 86.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.54 -44.01 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.41 -35.01 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -64.5 -43.16 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.3 -43.65 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.95 -36.95 85.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.4 p -85.78 -22.77 27.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -93.26 -13.05 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.77 32.89 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 130.03 44.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -72.64 -67.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -108.84 126.75 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.95 129.53 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -122.09 131.4 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -133.38 141.36 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.98 144.63 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -145.77 138.73 25.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -116.61 128.58 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -173.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.16 148.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.59 63.7 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.77 148.31 52.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.086 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.34 140.9 72.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.764 2.309 . . . . 0.0 112.322 176.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -52.38 -41.52 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.12 -43.99 73.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.06 -33.81 70.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.8 -54.46 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -70.73 -30.96 67.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -64.86 -43.87 91.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.31 -18.17 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -53.17 -41.67 65.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -174.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 p -135.65 79.85 1.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 p -124.48 147.49 55.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.058 158.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.93 -37.43 65.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.44 -38.67 90.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.34 -43.75 26.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.77 -39.5 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -172.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -61.47 -18.4 58.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.44 -23.11 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -87.25 -21.04 26.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -170.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.427 ' HB3' ' CE1' ' A' ' 37' ' ' HIS . 15.4 t-20 -72.4 156.5 39.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.903 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.43 3.22 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -172.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.72 160.29 9.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.053 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -65.61 160.02 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -171.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -79.97 -4.87 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -104.71 -35.0 7.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -170.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -130.12 30.39 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 30' ' ' ASN . 2.8 t60 -56.47 120.46 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 -176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 m -122.83 87.76 2.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.7 m -135.16 133.48 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.8 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.71 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 171.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.68 126.17 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -93.37 108.58 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.09 84.0 7.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -169.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -165.19 156.96 15.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.01 119.66 8.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.54 -8.29 78.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.36 152.51 48.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.05 150.71 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.011 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -144.77 158.82 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.7 p -153.39 154.89 35.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -137.13 126.07 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -103.9 113.0 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.1 mtt -120.27 134.92 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.84 153.95 48.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.97 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.12 151.81 46.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.95 -34.36 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -91.07 -0.34 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.67 21.65 76.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.44 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.3 p -85.23 -20.62 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -160.0 163.9 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.65 169.66 42.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.23 140.78 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.69 117.78 35.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -105.95 137.56 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.56 145.28 34.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.95 34.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.426 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 m -136.19 143.34 44.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.58 140.35 42.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.0 p -114.2 -28.85 7.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.88 134.36 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.6 t -138.24 124.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.91 99.08 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.05 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 52.99 29.83 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 58.07 23.32 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -108.14 -42.48 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.99 124.45 29.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.0 mt -134.82 127.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.08 135.31 54.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 48.5 p90 -150.94 166.42 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -173.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.7 133.13 55.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -119.54 98.08 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -174.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.94 -124.47 23.55 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -89.88 6.73 40.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 83.4 mtm180 -119.3 175.21 5.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.8 p -127.26 156.24 42.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -151.14 147.47 27.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -138.61 131.46 29.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.28 135.14 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.31 142.61 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -116.23 121.04 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.28 128.01 56.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -83.44 121.19 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -112.42 159.28 34.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.504 0.668 . . . . 0.0 111.126 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.3 Cg_endo -63.87 -29.01 67.46 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.28 -24.87 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -175.28 -163.94 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -175.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.26 129.7 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 111.122 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.9 m -101.44 129.96 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.82 124.32 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -115.9 120.65 39.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.85 124.04 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t -123.95 129.01 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -142.14 159.02 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.1 t -77.39 135.81 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.72 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -76.46 128.46 34.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.9 p -69.01 -25.93 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.15 -14.45 60.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.08 147.13 58.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.705 0.764 . . . . 0.0 110.887 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.05 141.34 79.52 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.28 -33.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.58 -39.24 84.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.4 -41.77 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.36 -43.44 66.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.7 -49.79 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.57 -40.95 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.65 71.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.754 0.312 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.65 -39.88 95.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.05 78.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.68 -43.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.05 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -67.05 -35.94 80.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.69 -47.78 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 171.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.93 -50.24 74.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.4 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -62.22 -44.26 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.25 -43.94 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 174.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.02 -33.49 74.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -74.61 -20.41 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -100.74 -9.03 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.6 35.27 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.59 124.26 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -99.94 -52.47 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 -175.983 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -110.3 124.66 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.4 127.76 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.3 m -121.83 130.93 53.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -134.72 142.24 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.59 142.49 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -140.54 128.8 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.2 m -102.06 126.69 49.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.24 147.85 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.28 65.41 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.86 148.56 52.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.66 138.51 64.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.2 -33.4 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.148 -166.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.72 97.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.91 -30.8 65.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.9 -55.16 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -73.73 -26.98 60.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.32 -45.0 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.06 -22.95 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.147 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -58.9 -32.67 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.3 p -123.59 71.22 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.123 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -122.88 156.02 62.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 111.123 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -61.43 -28.4 83.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.607 2.205 . . . . 0.0 112.328 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -70.15 -43.16 71.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 173.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.38 -45.01 70.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.9 tp -57.73 -28.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.37 -27.8 64.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.971 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -85.09 -4.99 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -88.88 16.1 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.7 m120 -129.34 149.09 51.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -173.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -3.04 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.28 173.3 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.9 p -65.56 160.18 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -83.89 -8.85 59.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -113.07 -38.15 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -166.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -120.42 41.35 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -173.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -117.43 128.22 54.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.9 m -119.06 120.01 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -132.95 128.62 36.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.86 132.42 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.9 46.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -122.64 125.97 46.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 169.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.37 123.92 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -171.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -102.49 106.29 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 167.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.85 89.52 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -173.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -164.84 158.79 17.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.11 118.1 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.02 -6.08 82.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.04 158.65 52.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.69 152.09 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.88 156.88 45.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 171.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -151.46 142.48 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -131.89 125.09 30.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.784 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -114.98 125.39 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -113.54 132.92 55.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -129.02 146.24 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.12 146.28 49.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.6 -29.3 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.917 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -95.08 -0.06 53.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.1 21.93 75.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -86.64 -24.54 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.424 . . . . 0.0 110.939 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.96 164.4 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.49 168.99 42.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.26 148.11 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -118.9 118.64 32.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.36 139.0 49.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 147.76 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.32 167.65 33.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.9 m -134.49 138.92 45.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 111.093 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -76.87 139.9 40.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -111.76 -25.14 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.86 133.01 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.76 126.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.33 100.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.29 29.66 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 57.79 22.4 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -106.19 -39.66 5.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -129.15 118.35 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -129.74 123.02 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -172.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.0 134.75 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -150.49 168.48 24.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -173.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.38 132.26 56.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.49 106.09 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.76 -126.09 29.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -97.02 11.13 37.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -119.06 170.46 9.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.0 p -124.08 153.14 41.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.81 149.28 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.03 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.46 129.76 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.7 t -121.58 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.14 143.61 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -117.13 130.81 56.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 tp -118.08 123.85 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -90.13 117.09 28.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -109.79 161.99 22.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.052 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.4 Cg_endo -66.82 -26.78 44.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.81 -25.67 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -173.31 -171.68 38.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.27 131.57 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.917 0.389 . . . . 0.0 111.056 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.3 m -106.68 133.54 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.68 127.92 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.163 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -114.35 123.06 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.42 123.06 69.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.197 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -125.95 123.04 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.67 159.23 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -170.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.89 133.58 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.84 133.18 47.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -62.56 129.68 41.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.7 p -73.64 -26.15 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.27 151.9 70.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.71 0.767 . . . . 0.0 110.941 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.72 145.68 81.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.271 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.66 -33.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.48 -43.38 97.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.96 -41.39 95.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.04 -50.29 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.41 -40.88 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.82 67.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -70.98 -31.07 67.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -62.72 -41.71 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 170.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.22 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.02 -46.06 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.1 -32.0 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.35 -38.54 91.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 173.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.09 -37.46 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.47 -44.78 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 173.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.66 -47.89 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 -34.89 79.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.46 -45.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.78 -31.78 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -75.09 -20.61 59.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.6 -11.57 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.77 35.21 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 130.02 40.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -81.5 -64.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -173.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 175.659 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -106.61 128.52 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -111.54 129.67 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.2 m -122.67 132.74 54.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -132.32 139.98 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -122.77 137.03 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -138.57 134.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -111.32 124.76 52.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.41 148.38 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.6 68.01 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.34 144.5 31.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.9 140.28 48.74 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.42 -43.61 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.96 92.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.82 -36.42 70.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.05 -55.77 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -66.26 -35.34 80.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -69.08 -43.08 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -19.73 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -53.73 -40.13 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -130.82 75.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -124.13 129.01 24.89 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 121.506 0.669 . . . . 0.0 111.134 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 83.2 Cg_exo -52.26 -50.13 15.04 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -58.59 -36.78 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.05 -38.33 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.67 -33.92 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' HB ' ' A' ' 39' ' ' THR . 99.1 mttt -50.38 -32.95 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.6 -23.35 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -84.62 -19.07 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -173.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.07 133.09 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 171.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.13 -15.95 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 167.27 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.738 ' O ' ' HB3' ' A' ' 37' ' ' HIS . 86.3 p -65.29 161.29 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -171.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.81 -4.52 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.95 -37.01 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -128.7 32.39 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.738 ' HB3' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -72.87 129.35 37.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 177.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 97.8 m -109.7 101.17 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.429 ' HB ' ' HG2' ' A' ' 27' ' ' LYS . 93.1 m -127.71 134.39 49.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.59 123.21 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -139.79 146.33 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -176.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -131.2 130.01 42.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.68 125.36 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -170.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -104.44 108.88 20.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 166.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.23 91.63 8.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -167.04 158.24 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 117.66 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.75 -11.32 72.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.553 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.71 150.55 41.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.81 153.04 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.025 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -144.04 156.39 44.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 173.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -151.8 141.13 21.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -136.28 125.1 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -113.22 129.67 56.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.2 mtt -118.17 138.0 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 56.7 mm-40 -130.17 151.01 51.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 149.66 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -58.07 -29.85 65.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -95.1 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.34 21.15 77.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 172.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.2 p -83.3 -22.29 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.857 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.1 ptp -156.34 164.77 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -176.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.27 39.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.426 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.98 148.47 50.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -115.57 120.64 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.28 141.13 48.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.09 147.37 46.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.35 167.55 33.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -138.51 142.48 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -80.84 138.36 36.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -114.45 -26.44 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.201 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -155.11 135.29 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.8 t -139.48 125.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.039 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.26 99.2 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -175.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.58 31.45 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 166.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.65 21.95 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -111.69 -40.19 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -134.3 126.36 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -135.06 126.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.75 135.52 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.12 166.52 29.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.77 131.14 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -119.07 100.0 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.48 -127.68 23.64 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.402 -174.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -92.73 11.82 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -120.07 175.74 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -128.39 154.34 46.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.97 146.82 27.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -137.45 130.26 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.02 134.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -124.05 144.6 49.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.49 126.68 51.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.91 132.45 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.77 120.44 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -111.21 159.03 34.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.025 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.3 Cg_endo -64.14 -28.98 65.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -95.9 -22.42 17.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -178.94 -164.46 31.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.412 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.35 129.74 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 m -105.41 133.9 49.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -174.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.04 127.19 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.66 125.62 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.39 126.99 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.7 t -123.06 127.73 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -140.54 158.17 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -170.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.05 133.17 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.22 133.83 45.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.88 126.34 29.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.5 p -68.6 -26.81 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.58 -17.75 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -124.89 152.1 69.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 144.2 69.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.57 -44.16 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.69 -36.94 85.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.62 -42.02 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.21 -48.66 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.49 -40.15 73.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -47.63 79.97 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.4 -33.02 66.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.279 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.06 -39.4 92.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.18 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.57 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.27 -38.02 88.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.26 93.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.83 -47.24 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.74 -51.59 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.67 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.75 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.87 -45.74 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.72 -35.94 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.0 p -75.77 -20.97 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -105.23 -12.97 15.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -115.14 41.89 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.45 129.52 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -84.99 -64.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 175.601 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 99.0 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.71 137.43 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' GLN . 4.9 mp -98.01 128.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -165.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.6 m -121.15 132.0 54.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 171.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.47 156.35 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.21 140.0 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.2 m -136.13 135.2 39.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -110.12 120.09 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.03 128.34 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.98 73.64 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -154.73 161.3 29.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.028 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 37.6 Cg_endo -62.93 148.61 93.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 69.5 t -57.04 -50.27 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -166.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.81 97.87 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -66.07 -41.07 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -177.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 77.0 t -66.21 -46.47 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -64.8 -41.42 95.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.09 -40.45 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -52.48 -51.1 61.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -134.38 83.9 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.5 m -133.49 128.4 20.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.149 162.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -53.93 -43.2 60.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.8 -35.12 78.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.29 -42.4 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -173.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 pt -65.08 -21.71 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.72 -20.96 66.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -55.81 -35.76 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -118.97 9.9 12.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -165.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -93.88 -168.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 171.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 67.93 77.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.18 45.84 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.1 p -95.03 -165.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 171.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -68.64 -3.31 11.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -96.37 -23.25 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.6 m95 56.46 36.26 27.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.965 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -128.31 152.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -110.7 137.92 47.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 166.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p -127.73 146.56 50.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -168.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.33 137.07 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 168.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.43 145.29 50.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.013 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -132.89 122.11 23.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 163.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.02 136.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -170.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.51 105.62 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.64 89.17 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -169.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -164.63 154.99 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.63 120.2 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.01 -13.5 66.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.429 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.5 158.28 48.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.495 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.34 153.22 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.041 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -142.03 153.58 44.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -148.03 141.36 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -142.16 124.42 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -99.86 128.86 45.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.5 ttm -119.85 130.09 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -130.46 148.62 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.91 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -55.87 -35.77 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -85.95 -2.2 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.51 19.2 77.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.9 p -83.03 -23.08 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.05 164.83 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.12 171.98 44.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.394 173.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.97 143.91 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.31 119.9 39.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -106.79 112.0 24.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.67 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.61 175.0 36.53 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.399 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -130.74 137.93 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -78.14 142.87 37.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.3 p -115.11 -25.04 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.202 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -155.66 134.61 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -141.07 123.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.0 98.89 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.089 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.82 34.07 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 165.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.58 19.78 6.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.49 -31.26 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -134.51 120.72 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.3 mt -136.33 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -125.06 136.65 53.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -151.06 169.23 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -171.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.83 133.21 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -116.84 95.32 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.91 -118.98 9.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -98.8 20.92 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.12 173.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.8 p -131.6 159.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 151.93 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.54 131.25 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.93 131.88 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -126.5 144.86 50.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.24 127.56 54.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.29 127.28 55.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -82.69 120.02 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -116.4 154.45 48.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.07 -26.31 65.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.633 2.222 . . . . 0.0 112.397 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -91.45 -25.82 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 174.94 -167.94 40.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 89.2 t -103.1 123.74 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 m -96.86 124.11 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.85 122.05 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -117.05 124.53 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.98 123.74 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -132.8 126.23 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.36 159.09 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -172.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -83.23 137.66 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -60.94 123.41 17.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.9 142.91 27.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.0 m -65.02 -37.4 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.78 -28.38 61.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.45 115.96 44.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.41 146.94 39.27 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.757 2.304 . . . . 0.0 112.262 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.58 -45.7 59.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.26 -40.24 95.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.8 -38.5 89.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -74.17 -41.11 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.437 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -57.75 -49.96 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.08 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.47 -52.03 38.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -70.65 -32.95 70.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -63.7 -43.09 97.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.41 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.95 -45.01 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.57 -40.46 97.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.56 -33.06 74.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.29 -35.39 78.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -57.35 -40.65 78.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.64 -40.48 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 174.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.28 -35.26 71.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.4 -47.86 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 11' ' ' ALA . 60.2 t -59.97 -45.45 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.14 -38.88 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.0 p -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.26 14.0 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.6 tp -151.98 118.63 5.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 58.11 36.32 25.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -83.84 -4.65 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 178.72 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -97.42 121.74 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 5.1 mp -110.54 129.76 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -124.45 137.91 54.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.27 156.96 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.46 138.8 33.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.8 m -141.53 137.37 31.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 m -114.06 125.02 53.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.74 133.08 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.43 72.49 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 131' ' ' VAL . . . -149.52 157.87 38.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.588 0.709 . . . . 0.0 111.051 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.83 145.88 38.22 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.4 t -57.25 -49.52 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.066 -171.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.1 99.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -39.57 92.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 63.2 t -67.64 -48.33 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -66.41 -41.97 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.37 -38.97 85.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.02 60.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.022 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -49.03 -49.42 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.9 m -132.37 83.02 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.4 m -127.92 128.46 23.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.55 0.691 . . . . 0.0 111.11 166.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -52.95 -46.14 35.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.601 2.2 . . . . 0.0 112.402 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -59.22 -34.2 71.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.54 -44.64 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.3 pt -67.59 -22.71 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.44 -24.0 64.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -58.07 -39.22 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -120.88 -2.12 9.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -164.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 38.7 p30 -91.29 -165.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 171.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 67.54 72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.48 52.69 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.045 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.9 p -95.01 -166.9 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.805 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.38 -15.14 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -80.55 -10.53 59.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.6 m0 59.4 16.34 5.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -136.66 150.0 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 30' ' ' ASN . 92.8 m -107.67 140.7 40.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 169.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.2 m -124.46 127.82 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -166.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.47 128.58 45.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 172.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.35 132.2 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -124.96 129.18 49.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -135.59 131.15 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -165.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -110.38 105.35 14.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 162.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.4 mt -84.8 84.53 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -165.11 161.62 19.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.07 114.42 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.53 65.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.41 145.74 29.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 147.23 26.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 t -141.01 136.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -135.27 126.09 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -107.0 121.83 45.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.5 ttp -113.3 127.92 56.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 174.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -129.86 145.96 51.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 144.51 56.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.47 -34.09 70.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -88.22 -0.98 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.16 19.61 77.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -82.14 -22.16 36.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.02 164.93 32.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.15 171.82 44.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -132.19 140.25 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -100.58 119.37 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -107.97 136.62 47.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 145.44 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.04 170.22 34.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.408 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -134.87 139.28 44.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -83.35 137.22 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.5 p -110.32 -21.89 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.176 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -154.69 132.71 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -141.34 122.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.65 101.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 52.17 34.95 15.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 164.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 56.42 22.57 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -114.02 -40.9 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.89 122.03 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.5 mt -136.43 121.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -174.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.87 133.66 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -154.53 173.03 16.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -172.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.85 127.98 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -114.7 96.75 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -170.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.26 -128.24 24.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.555 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.36 16.01 8.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -134.62 -179.99 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -127.23 158.05 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.74 151.49 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.91 131.84 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.3 t -114.41 130.82 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.32 144.42 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.19 128.14 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.99 127.79 56.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -84.02 120.03 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.53 155.46 47.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.154 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.13 -26.54 72.95 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.39 -25.07 17.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.16 -169.36 41.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 13' ' ' VAL . 83.1 t -107.91 123.53 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -101.17 130.33 47.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 124.05 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -117.74 125.86 51.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -121.31 123.87 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -123.55 130.48 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -139.79 155.9 47.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.78 138.29 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -65.18 131.3 46.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -176.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -100.28 144.33 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -66.69 -37.52 84.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -75.67 -28.96 58.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -111.57 121.37 40.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.98 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -52.79 142.98 49.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.26 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 67.3 t -55.4 -46.7 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -37.78 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.58 -40.46 95.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.55 -43.03 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.14 -48.67 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -68.91 -38.51 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.71 -48.95 66.89 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -66.57 -35.64 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.09 82.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.49 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.34 -40.2 93.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.92 -36.68 85.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.44 -40.38 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.962 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -61.13 -41.91 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.98 -46.81 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.25 -46.5 88.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 11' ' ' ALA . 54.1 t -60.69 -45.78 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.98 -35.5 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.3 p -74.93 -19.88 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -120.01 8.41 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.6 120.98 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 59.16 35.15 23.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -83.53 -2.23 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.214 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 98.9 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.49 141.4 36.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.27 127.32 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -165.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -119.96 135.03 55.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.27 140.45 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -137.58 135.66 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -138.37 141.19 39.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -115.49 130.06 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.9 148.31 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.45 64.65 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.47 144.94 29.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.86 149.95 88.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.24 . . . . 0.0 112.442 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.22 -35.0 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -171.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.89 -44.0 98.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -66.3 -44.72 82.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.884 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.47 -47.56 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -62.75 -44.25 96.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.5 -45.97 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.21 -20.89 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.45 -49.53 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -135.04 79.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.1 m -119.21 126.81 26.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 166.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -70.45 -34.13 12.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.567 2.178 . . . . 0.0 112.332 -173.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.94 -38.04 89.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -74.11 -40.8 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 pt -64.29 -18.26 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.12 -20.3 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.45 -37.84 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -121.7 -1.3 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -163.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 38' ' ' THR . 47.1 p30 -93.0 -167.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 174.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 67.04 62.34 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.3 53.65 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.4 p -80.63 -175.77 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 170.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.54 -30.1 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -75.2 -4.02 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.7 m0 59.03 22.06 10.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -116.31 128.63 55.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 30' ' ' ASN . 80.8 m -111.57 128.17 55.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 168.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -122.91 136.43 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.31 132.83 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 169.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.28 53.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.12 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -132.13 127.13 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 169.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.3 133.09 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -170.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -94.81 106.75 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 163.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.2 79.78 8.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -169.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -165.31 154.41 12.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.44 124.21 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.35 70.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.402 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.4 158.97 40.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.56 150.98 22.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.062 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -147.78 160.4 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.6 p -152.11 151.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -145.22 126.91 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -112.46 126.47 55.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.9 ttp -118.71 132.68 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -129.48 149.06 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.94 152.06 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.49 -40.32 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -88.37 -0.46 57.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.34 20.03 73.02 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.374 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -80.31 -25.08 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.88 163.71 39.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.88 169.73 42.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -116.62 134.48 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.3 110.66 22.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 172.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -108.64 138.17 45.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.59 156.37 44.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.7 157.64 28.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.4 m -124.35 134.66 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 167.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -75.49 137.5 40.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -168.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.7 p -114.36 -24.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.217 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -156.23 132.45 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.5 t -138.98 123.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.91 101.05 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 52.07 32.94 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 168.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 58.37 19.03 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -109.05 -40.13 5.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.63 116.04 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -131.56 127.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.2 137.16 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.67 164.93 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.44 138.47 50.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.34 90.85 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 178.091 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.71 -117.94 7.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.546 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -97.1 15.51 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 110.832 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.1 174.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -130.85 159.56 37.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 155.0 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -139.24 135.05 33.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.929 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 103' ' ' VAL . 62.0 t -115.27 128.59 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.94 145.81 49.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.97 129.91 55.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.26 126.51 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 175.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -86.16 120.48 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.76 158.34 39.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 176.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.2 Cg_endo -64.07 -26.81 65.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -96.11 -27.07 15.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.506 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -177.84 -169.11 38.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -177.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.65 131.54 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 111.076 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.5 m -106.29 130.44 54.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -116.96 129.01 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.51 127.09 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 90' ' ' VAL . 60.4 t -120.51 122.21 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -131.68 132.8 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -137.51 155.37 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.92 139.23 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -175.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -70.07 140.21 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -175.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -86.36 149.33 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.9 m -79.12 -40.53 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.82 -24.32 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -174.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.0 m-85 -110.94 136.41 20.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 76.2 Cg_exo -55.43 140.88 82.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.38 -45.82 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -65.57 -44.21 87.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.978 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 9.0 mm-40 -74.64 -34.63 62.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.003 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.61 -43.13 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.81 -46.66 88.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -70.95 -37.51 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.69 0.281 . . . . 0.0 110.95 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.42 -41.49 96.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.77 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.6 tt -75.32 -32.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.8 -36.77 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.33 -34.99 79.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 172.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -64.61 -35.35 80.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 171.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 130' ' ' HIS . 18.9 m-30 -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.47 -44.77 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 170.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.44 -31.43 72.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 127' ' ' PHE . 64.5 t60 -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.55 -44.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.23 -34.43 75.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.4 p -72.4 -16.9 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -113.95 7.28 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 135' ' ' LEU . 3.2 tm? -142.36 110.27 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.05 42.0 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -82.28 -8.27 59.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 178.9 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -97.78 120.4 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.67 126.28 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -122.57 134.18 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.18 140.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -123.44 146.39 48.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -145.27 138.87 26.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -115.81 127.77 55.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.99 128.64 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 69.98 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.95 159.76 31.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 111.075 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -54.18 144.52 58.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.754 2.302 . . . . 0.0 112.318 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.7 t -56.81 -47.49 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -174.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.71 99.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.12 -40.25 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.65 -46.74 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -66.41 -42.55 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.77 -43.62 79.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.49 60.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -49.5 -46.33 48.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.989 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -133.16 74.28 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -113.49 127.2 27.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.521 0.677 . . . . 0.0 111.127 167.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.18 -40.24 27.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.7 -34.94 75.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.962 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -72.08 -35.68 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.418 HD13 ' HB3' ' A' ' 41' ' ' ALA . 86.9 mt -64.78 -39.71 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.36 -25.6 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.06 -31.68 72.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -170.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -123.38 -4.94 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -168.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.476 ' HB2' ' H ' ' A' ' 39' ' ' THR . 28.2 p-10 -92.82 -166.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 173.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 57.33 72.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . 64.97 71.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.013 -174.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.3 p -61.31 -176.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.45 -38.63 71.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.64 5.76 17.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.8 m95 65.36 28.44 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -105.56 140.87 37.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m -113.94 130.64 56.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.476 ' H ' ' HB2' ' A' ' 30' ' ' ASN . 89.0 m -127.68 121.38 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.192 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.36 134.31 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.151 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB3' HD13 ' A' ' 26' ' ' ILE . . . -128.22 137.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -126.87 125.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 166.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.71 127.05 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -94.67 104.97 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 80.04 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -164.33 157.7 17.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.06 123.1 15.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.29 -7.16 78.36 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.3 40.63 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.479 -176.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.91 151.25 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 111.028 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -141.24 155.1 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 173.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -151.49 143.48 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -137.98 126.56 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -110.04 123.65 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.4 mtt -112.59 134.05 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -127.71 145.09 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.8 155.65 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -58.13 -35.05 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.24 -0.96 57.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.22 20.86 71.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.9 p -85.52 -20.72 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -157.34 164.25 37.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.67 170.95 43.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -121.7 137.97 54.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.51 115.78 30.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -104.08 131.27 51.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 144.79 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.22 168.75 35.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -131.73 139.08 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 111.182 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -78.39 142.63 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.9 p -115.0 -23.18 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -160.08 133.85 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.2 t -139.77 123.71 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.67 100.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.057 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 50.06 35.06 9.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 165.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 59.02 19.59 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.21 -38.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -128.36 121.12 28.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.5 mt -130.84 121.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -116.81 136.59 52.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 171.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -149.89 164.91 34.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.71 133.2 55.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.147 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -115.8 95.61 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -121.99 15.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.556 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -94.0 15.33 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 110.881 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -134.05 174.44 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -133.15 159.22 40.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.33 155.13 37.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -134.94 133.68 39.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -114.21 128.99 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.062 175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.35 144.42 50.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.6 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.3 145.25 43.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -89.7 116.28 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -99.02 159.85 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.422 0.629 . . . . 0.0 111.234 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.9 Cg_endo -62.97 -29.39 75.73 Favored 'Trans proline' 0 N--CA 1.466 -0.115 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -90.3 -27.46 19.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.33 -166.65 37.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 94.5 t -100.07 121.67 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 111.06 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.0 m -103.53 129.93 50.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 -174.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.2 t -115.77 126.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -112.02 123.8 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.06 120.89 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 t -126.52 132.25 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -138.5 158.51 44.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.5 t -93.16 135.98 26.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 176.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.06 154.16 35.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.08 154.19 29.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -79.9 -36.58 36.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 175.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.16 -15.1 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.67 145.31 49.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.681 0.753 . . . . 0.0 110.929 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.4 142.95 74.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.25 -31.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -176.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.09 -43.44 92.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.43 -40.5 85.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.65 -42.26 82.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -57.89 -51.02 71.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -69.85 -42.5 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.31 51.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.63 -39.67 94.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.89 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.23 -45.38 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.9 -34.97 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.97 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.34 -40.84 97.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 173.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.26 -39.09 91.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.23 -45.39 93.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -65.27 -33.76 76.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -66.03 -40.62 91.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.06 -40.0 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.58 -36.03 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -67.23 -17.56 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -105.01 -2.88 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.7 tp -142.81 114.89 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 56.07 38.97 30.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -85.08 -10.25 57.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 177.847 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -100.11 120.5 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 80.7 mt -103.46 127.82 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 174.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -121.03 132.49 54.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -132.15 139.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -124.71 136.08 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -136.61 133.86 36.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -114.95 125.54 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -120.59 133.27 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.17 72.18 10.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.022 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.81 160.99 30.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.036 -176.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.02 144.98 54.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.381 174.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.92 -34.38 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -45.99 94.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -66.74 -44.28 81.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.864 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.18 -45.9 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -65.93 -43.65 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.99 -35.04 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.39 -23.19 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.22 -41.73 89.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -174.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.1 p -135.05 70.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -124.68 117.53 26.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.52 0.676 . . . . 0.0 111.23 164.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.99 -46.48 33.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.414 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -34.55 73.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.7 -37.01 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.32 -40.12 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.74 -24.78 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -48.43 -31.03 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -107.34 -2.33 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -166.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -93.94 -168.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 68.24 73.56 0.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.071 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.66 46.12 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.9 p -86.86 -178.77 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 166.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.83 -36.97 70.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -172.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -77.84 -8.52 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.2 m95 54.93 36.16 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -115.29 144.79 43.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -105.77 134.9 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 172.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -130.27 135.46 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -169.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 137.46 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.88 146.05 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.048 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -132.71 126.38 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 165.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.9 125.6 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -90.96 112.19 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.62 79.31 9.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -165.95 157.23 13.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.91 124.01 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.11 -8.89 78.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.0 152.57 48.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.01 152.68 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -144.86 157.29 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 172.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -151.68 152.08 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -141.67 126.02 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -107.17 126.12 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.4 mtp -119.22 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -132.09 150.3 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.6 141.19 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.009 172.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -52.76 -38.53 61.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -85.01 -0.79 55.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.06 19.6 77.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.439 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -83.8 -26.44 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 -176.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.93 163.78 33.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.834 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.22 169.51 42.64 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.0 137.57 47.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.08 120.08 40.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.13 137.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.68 145.03 33.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.19 171.03 35.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -138.48 144.03 39.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.727 0.299 . . . . 0.0 111.127 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -77.93 143.96 37.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.2 p -115.06 -26.42 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.189 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.62 134.44 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.3 t -141.45 123.32 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.3 98.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 52.43 30.74 8.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 165.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 58.84 21.08 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.79 -39.98 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -130.22 119.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -136.88 125.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.97 136.56 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 174.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.77 166.48 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.09 139.14 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 45.4 p90 -129.68 114.9 16.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.84 -131.61 28.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.531 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.48 23.93 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.826 172.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -133.06 171.99 13.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 58.1 p -132.16 156.14 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.69 154.03 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -139.3 133.61 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.804 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.94 134.99 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -119.26 144.09 46.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -119.96 133.66 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 pp -136.58 143.18 43.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -94.12 119.36 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -101.72 160.12 27.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 111.167 175.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -63.1 -28.62 74.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.768 2.312 . . . . 0.0 112.283 177.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.55 -25.85 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.5 -170.2 42.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.23 124.31 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 m -106.76 131.66 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.11 126.21 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -116.58 122.93 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -175.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.6 127.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.9 t -127.04 128.1 45.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -142.39 160.53 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.51 135.18 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.66 145.53 45.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 -173.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -77.76 155.3 31.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.0 m -81.5 -37.27 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.66 -20.07 54.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 87.3 m-85 -115.67 137.54 23.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 62.0 Cg_exo -55.0 143.78 71.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.3 t -56.72 -45.53 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -37.4 87.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.8 -39.9 95.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -73.06 -39.67 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.15 -48.18 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.989 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -72.13 -41.22 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.97 90.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -176.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -68.83 -38.16 79.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.671 0.272 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -62.53 -40.04 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.42 79.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.059 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.04 -45.07 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.26 -37.72 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.99 -36.23 83.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.12 -41.01 99.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -62.9 -42.89 99.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -50.78 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -67.89 -34.94 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.09 -46.98 81.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.46 -41.21 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -73.3 -10.84 60.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -107.38 1.71 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.8 tp -149.73 119.2 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 57.2 36.81 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -86.37 -1.59 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.864 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 179.164 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -100.09 120.02 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.0 mt -102.83 128.86 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.0 m -121.15 132.8 55.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.11 157.03 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -141.84 136.69 30.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -140.91 133.87 29.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.1 m -112.05 125.65 54.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.46 131.08 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 75.79 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -156.91 157.44 30.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.013 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.74 145.72 59.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.76 -36.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -175.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.93 96.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.81 -42.95 80.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.822 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 71.0 t -67.61 -49.74 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.057 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 46.9 m0 -65.21 -42.28 93.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -174.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.25 -41.12 86.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.834 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.1 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -47.85 -55.05 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -135.53 86.45 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.0 m -127.63 129.64 23.78 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 166.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.29 -46.28 33.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.283 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.23 -35.66 75.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -71.55 -36.59 71.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.83 -37.22 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.37 -25.09 63.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -57.86 -40.56 80.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -122.53 -1.28 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -164.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' HB2' ' H ' ' A' ' 39' ' ' THR . 33.4 p-10 -88.89 -165.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 68.2 74.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.41 59.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.977 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.05 -32.36 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -74.27 -0.73 17.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.4 m95 60.34 30.04 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -127.6 145.83 50.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.8 m -105.75 139.96 39.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.472 ' H ' ' HB2' ' A' ' 30' ' ' ASN . 94.3 m -122.55 116.4 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 -169.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.53 134.4 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.58 138.52 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.074 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 122.03 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 168.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 51' ' ' PHE . 6.5 m -130.78 135.67 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -100.51 107.86 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 164.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.93 88.33 7.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -165.57 157.13 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.28 119.2 7.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 173.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.45 -8.39 79.93 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.79 152.01 43.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.87 152.36 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 111.057 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB2' HG12 ' A' ' 43' ' ' VAL . 54.6 p90 -144.77 158.32 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 174.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -149.83 152.15 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -142.23 130.88 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -113.16 126.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.9 ttp -115.32 129.9 56.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -130.06 148.0 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.2 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.03 -39.03 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.08 -0.06 56.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.09 21.09 76.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -82.22 -24.99 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.982 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -158.14 163.99 37.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.877 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.06 40.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.47 140.28 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.7 120.96 43.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.52 137.64 49.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.49 144.93 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.26 171.07 35.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.9 m -134.97 142.0 46.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -77.51 143.01 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.7 p -113.4 -25.02 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.15 135.52 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -140.96 122.44 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -132.65 101.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 50.85 33.33 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 165.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 78.5 m-20 56.34 20.75 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -114.79 -36.14 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -130.27 119.15 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 171.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.428 ' HB ' HG13 ' A' ' 90' ' ' VAL . 90.0 mt -137.44 128.91 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -176.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.38 135.21 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -145.02 162.14 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.35 137.32 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.126 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 48.7 p90 -128.39 115.08 17.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.892 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.66 -129.81 27.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -97.63 26.25 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.24 170.34 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -132.38 156.7 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.16 154.96 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.26 132.06 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 79' ' ' ILE . 5.0 p -117.96 134.81 60.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -124.05 146.05 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -116.34 123.35 47.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.19 128.3 56.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -85.42 118.11 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.91 157.71 44.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -63.8 -27.01 67.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.291 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.14 -26.34 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.7 -167.74 39.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.533 -176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -109.6 124.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.137 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.7 m -102.32 128.68 48.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.56 122.35 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.17 127.47 51.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.75 129.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t -123.24 126.89 47.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -144.51 159.33 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.37 135.02 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.67 144.91 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -83.51 124.59 30.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -61.56 -30.03 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.191 -173.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.52 -18.31 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.44 151.31 56.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.978 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -65.86 146.81 84.19 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.35 -42.19 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.1 -45.06 87.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.21 -40.46 94.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.36 -40.41 81.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.48 -47.69 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.44 -34.97 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.59 63.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -70.24 -34.49 72.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.665 0.269 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.37 -40.16 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.53 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.58 -46.15 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.69 -37.0 85.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.05 -37.11 86.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.31 -40.98 98.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -65.12 -43.52 91.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -64.17 -50.12 69.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -64.93 -32.71 74.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -60.09 -47.42 85.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.43 -42.79 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.16 -36.65 78.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.5 p -75.58 -18.9 59.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -109.95 7.2 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.7 tp -152.26 118.2 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 58.4 36.74 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -84.32 -4.38 58.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 178.247 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -80.05 141.75 35.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 4.9 mp -107.77 129.38 61.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -166.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -121.09 134.33 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.32 139.97 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -130.53 135.27 47.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -136.08 136.4 40.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.6 m -116.6 129.54 56.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -125.18 133.7 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.3 76.28 9.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -175.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -147.83 157.29 44.05 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.603 0.716 . . . . 0.0 110.979 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.33 144.09 62.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 174.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.48 -35.3 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -39.17 80.45 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.52 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -64.96 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -174.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.468 HG21 ' HB ' ' A' ' 99' ' ' VAL . 67.1 t -63.98 -46.73 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -66.78 -46.79 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.63 -41.69 87.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.93 -12.82 59.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -44.88 -49.78 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -168.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -132.98 88.8 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -123.38 126.76 25.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.53 0.681 . . . . 0.0 111.196 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.69 -36.65 8.01 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.07 -37.94 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -73.8 -40.84 63.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -171.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.25 -20.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.64 -21.92 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -63.35 -38.39 90.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -121.85 -3.44 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -164.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 43.4 p30 -94.61 -163.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 174.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 68.01 63.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.7 56.55 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.8 p -73.56 -172.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.93 -42.2 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -170.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -75.05 -4.6 39.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.4 m95 62.9 30.15 16.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -117.31 139.61 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 172.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -113.22 135.99 53.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -120.01 128.59 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.99 134.03 55.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.117 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.63 129.03 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -130.26 130.8 45.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 170.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.16 135.31 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -96.21 108.01 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 163.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.6 77.23 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -169.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -166.77 155.31 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.51 123.72 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.41 -3.72 66.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.9 161.89 42.35 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.11 145.0 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.061 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -131.92 143.4 50.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.5 t -150.41 131.54 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -133.01 126.07 31.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -113.3 119.73 38.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.2 ttt -111.68 130.01 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -131.72 149.35 52.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.0 145.7 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -51.59 -38.18 53.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.31 -0.97 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.97 19.47 67.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 172.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.3 p -82.97 -26.13 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -178.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -155.49 163.6 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.95 173.89 46.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 170.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.94 141.6 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -116.64 115.49 25.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -110.58 125.99 53.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.33 154.99 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.032 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.26 160.55 34.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.4 m -119.77 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.212 167.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -75.96 137.31 40.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -168.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.2 p -112.48 -22.18 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.18 132.61 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.61 122.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -128.92 101.55 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.47 33.57 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 165.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 59.74 18.42 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.77 -40.89 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.7 117.84 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.49 125.43 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -127.16 136.93 52.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.02 164.51 32.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.53 136.74 52.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.46 91.65 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 -117.93 8.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.575 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -97.04 15.19 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.79 174.22 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.1 p -130.87 158.82 39.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.2 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -134.68 131.39 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -173.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.54 127.49 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.61 144.7 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -118.63 132.73 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.7 mt -124.54 136.38 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -91.91 114.52 27.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -101.07 159.76 28.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 0.0 111.136 172.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.7 Cg_endo -62.83 -28.17 75.64 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.19 -28.35 16.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 179.6 -171.43 43.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.524 -176.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' VAL . 95.3 t -101.87 127.68 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.3 m -104.01 125.62 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -114.81 124.71 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -117.54 124.66 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.57 124.25 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.3 t -130.58 132.78 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 50.0 p90 -139.15 156.6 47.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.36 135.97 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.3 139.24 52.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -173.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -80.11 148.1 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -40.07 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.63 -22.32 50.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -113.26 136.74 21.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.09 143.85 72.13 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.625 2.216 . . . . 0.0 112.342 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.07 -45.02 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.61 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.53 -39.64 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -55.22 -48.88 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -69.99 -43.56 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.01 90.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -69.06 -36.24 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 110.933 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.96 -40.96 97.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.49 96.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.2 tp -73.86 -33.07 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.73 -34.47 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.85 -36.42 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -63.03 -39.64 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 172.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.94 -36.1 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.54 -48.19 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.72 -25.15 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -57.54 -56.01 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.1 t -65.91 -41.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.126 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.68 -38.08 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -64.9 -18.72 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -103.13 13.68 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 11' ' ' ALA . 83.4 mt -106.76 135.51 48.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 47.93 38.69 9.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -75.95 -22.54 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 168.843 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -86.97 119.9 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -108.38 133.39 53.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.5 m -114.91 132.48 56.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 m -131.28 147.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -140.28 145.09 36.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -168.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -142.34 143.78 32.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -117.13 124.86 50.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.62 132.65 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.04 70.15 10.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.76 35.06 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 111.125 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.73 144.96 51.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.1 t -56.86 -47.3 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.11 95.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.12 -42.26 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -60.02 -43.75 95.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -62.08 -47.38 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.62 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HD2' ' HG1' ' A' ' 21' ' ' THR . 73.9 t80 -65.31 -50.21 66.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 ' HG1' ' HD2' ' A' ' 20' ' ' TYR . 34.7 m -137.86 74.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -129.96 130.99 23.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.582 0.706 . . . . 0.0 111.111 158.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.409 -176.174 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.919 0.39 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.3 p -135.27 164.77 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 168.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.8 132.12 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.84 141.18 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -177.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.2 m -129.26 126.9 40.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 170.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.03 125.1 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -171.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -107.2 100.64 10.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -84.54 95.46 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -172.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -167.47 157.54 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.89 112.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.8 -5.07 69.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.22 147.98 19.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.14 156.29 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.88 154.98 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.4 t -150.68 140.78 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -137.51 121.65 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -108.78 129.89 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 80.1 mtp -119.75 138.03 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -129.68 152.96 48.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.29 150.61 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.74 -36.13 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -89.11 -0.63 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.68 77.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -83.59 -21.35 32.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -156.57 163.48 39.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.64 44.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -146.14 154.97 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -118.5 121.65 40.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -108.81 123.84 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 148.39 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.92 175.09 35.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -130.07 138.19 50.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -81.62 136.29 35.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -111.6 -23.43 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.63 133.28 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -139.64 124.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.99 100.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 50.38 36.36 12.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 165.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 58.47 22.15 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -121.4 -33.91 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -128.95 117.77 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.2 mt -136.66 111.1 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -173.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.95 139.24 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -150.02 165.17 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.76 135.85 53.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -124.04 95.67 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.13 -119.24 13.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -91.14 1.94 56.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 77.0 mtm180 -112.92 166.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -175.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.3 p -131.29 158.92 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.78 151.41 35.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -133.84 129.9 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.92 131.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -125.27 143.64 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -115.49 127.25 55.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.0 tp -117.98 129.39 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -86.37 117.76 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.79 156.24 42.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.715 . . . . 0.0 111.102 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.6 -26.7 69.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -91.94 -27.21 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.04 -169.95 42.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t -106.26 123.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 111.095 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.4 m -104.0 129.92 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.195 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.29 122.26 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.2 128.89 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.94 125.56 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t -117.42 124.41 48.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -141.18 156.42 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.0 t -80.65 136.88 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.33 147.03 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 15.7 tp10 -89.68 129.53 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -65.15 -22.26 66.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 97.6 mt-10 -79.8 -16.0 56.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.17 146.13 52.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.758 0.79 . . . . 0.0 110.9 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.08 142.91 85.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.4 -43.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.29 -42.2 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.04 -38.23 87.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -65.51 -43.87 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.08 -46.61 88.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.84 -42.24 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.51 94.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.696 0.284 . . . . 0.0 110.907 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.15 -39.17 91.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.28 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.76 -47.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.23 -36.72 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.38 -39.95 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.1 -42.15 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.43 -46.22 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.27 -36.08 82.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.61 -46.12 89.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.82 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.7 -39.02 67.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -72.16 -16.54 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -92.9 -3.66 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.7 mt -101.96 -37.11 8.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.269 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -85.24 118.36 24.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -103.46 127.7 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.6 m -119.37 133.82 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.5 m -132.75 151.42 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -143.44 143.73 31.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -167.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 151.18 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -125.28 130.1 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.74 142.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.25 70.02 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.08 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.2 154.18 36.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.15 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.14 144.38 58.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.29 -36.44 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.32 94.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.9 -42.19 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.55 -49.85 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.4 m0 -66.75 -44.08 82.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.09 -42.53 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.54 61.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -60.27 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -125.05 74.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.7 m -133.42 128.54 20.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.3 -177.956 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.879 0.371 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 p -138.08 160.33 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 166.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.28 19.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.87 145.23 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m -131.52 126.42 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.48 128.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -170.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.35 100.16 9.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 164.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -82.54 96.3 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -172.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -166.17 158.96 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.99 115.77 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.02 83.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.35 155.3 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.405 -174.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.27 151.27 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.105 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -142.97 154.97 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 171.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -150.29 142.9 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -138.74 126.29 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -111.05 129.8 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.778 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 79.8 mtp -117.76 136.01 53.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' OE2' ' HA3' ' A' ' 63' ' ' GLY . 44.4 mm-40 -130.07 153.3 48.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.03 149.45 48.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.87 -35.92 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p-10 -88.63 -1.01 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.12 20.73 78.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.45 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -81.48 -19.72 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptp -158.08 161.03 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.499 ' HA3' ' OE2' ' A' ' 56' ' ' GLU . . . -171.78 165.76 38.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.419 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.38 148.7 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -109.0 122.15 46.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -117.72 120.13 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.24 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.172 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 173.05 35.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.3 m -131.54 139.28 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.13 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -79.25 144.33 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -115.02 -23.91 8.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.2 136.38 9.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -141.91 124.85 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.64 101.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 50.61 33.87 8.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 75.9 m-20 56.78 21.63 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -118.04 -30.58 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.89 119.77 21.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.79 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.66 110.34 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -117.64 138.78 51.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -148.5 166.35 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -175.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.1 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -118.89 97.44 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.31 -121.34 20.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -97.06 20.33 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -132.32 172.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.8 p -133.68 158.4 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.67 153.48 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -134.84 130.09 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.14 130.16 65.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -124.01 144.86 49.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -117.23 127.1 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.06 128.05 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.6 116.8 25.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.38 157.49 39.93 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.563 0.697 . . . . 0.0 111.094 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -27.53 69.02 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -92.25 -26.05 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.59 -169.97 42.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.9 t -109.17 125.6 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 0.0 111.092 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -102.56 130.5 49.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.74 122.27 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -117.99 128.02 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.96 124.8 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 t -126.91 129.99 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -141.43 159.65 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -171.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.71 132.28 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.11 142.68 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.8 tt0 -95.19 127.7 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -63.46 -19.13 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -170.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 73.8 mm-40 -77.43 -15.99 59.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.89 141.28 40.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.683 0.754 . . . . 0.0 110.891 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.11 139.51 80.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.71 -45.05 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -42.81 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.83 -35.83 79.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.2 -41.55 81.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.52 -47.34 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.44 -41.45 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.84 -47.6 81.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -67.14 -37.57 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.06 -39.32 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.95 78.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.86 -45.1 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.55 -36.24 83.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.11 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.79 -42.0 95.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.07 -43.52 87.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -57.99 -45.37 86.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.23 -35.88 81.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -66.9 -41.96 86.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.72 -42.17 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.05 -34.21 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.9 p -77.8 -24.11 48.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.58 -4.61 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 tp -97.5 -38.59 9.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -179.508 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -106.46 119.31 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -119.17 136.48 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -127.31 140.61 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.98 149.31 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -129.48 140.46 51.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -170.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 150.89 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -125.65 130.08 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.37 149.6 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.14 67.67 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.048 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.29 145.79 19.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 111.044 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.31 143.83 63.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.763 2.308 . . . . 0.0 112.327 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.74 -45.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.45 -42.61 99.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.5 -40.77 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.946 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.78 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.59 -43.57 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -58.61 -43.86 89.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.03 -22.69 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -51.46 -54.18 29.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -127.83 78.34 1.82 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -124.23 153.42 68.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 161.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 43' ' ' VAL . 21.5 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 87.4 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.903 0.382 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -124.77 135.13 52.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 172.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.37 129.14 20.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -132.16 153.02 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -173.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -136.82 130.15 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.585 ' HB ' ' HD3' ' A' ' 23' ' ' PRO . 82.9 t -129.83 129.77 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -104.56 110.66 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 164.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 45' ' ' LEU . 43.8 mt -85.44 85.91 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -160.32 156.86 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.14 118.4 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 171.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.39 -8.57 78.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.05 152.18 45.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.546 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.04 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -147.97 157.1 43.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.3 p -151.57 151.75 31.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -139.86 127.35 21.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.48 130.02 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.7 mtm -121.28 132.62 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 47.7 mm-40 -130.1 143.37 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 148.41 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.84 -35.6 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -87.11 -2.61 58.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.54 20.02 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -86.74 -21.53 26.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -159.88 164.39 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.56 171.43 44.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.63 148.82 51.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -108.94 128.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.21 133.26 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.55 147.67 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.03 165.84 33.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.432 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -136.44 148.97 48.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.769 0.318 . . . . 0.0 111.119 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -81.61 143.47 31.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -114.47 -27.76 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -151.38 136.25 17.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.5 t -141.43 125.9 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -133.78 102.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 51.83 30.19 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 162.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 62.39 14.76 7.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.847 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -110.11 -40.02 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.927 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -133.38 120.43 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 pt -138.87 147.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.6 140.82 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -144.73 162.65 36.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.74 143.56 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 50.0 p90 -136.89 103.36 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.57 -128.05 29.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.569 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -97.47 21.15 10.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -134.88 170.93 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -135.04 158.43 44.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.69 151.29 37.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -136.54 132.28 35.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 103' ' ' VAL . 61.8 t -115.63 130.69 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -123.72 142.16 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.84 122.79 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.0 tp -110.91 122.88 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.999 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -87.19 119.58 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.58 158.13 46.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 111.146 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.7 Cg_endo -63.67 -25.69 68.9 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.1 -23.89 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.61 -173.37 46.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -177.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.1 128.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.4 m -101.62 130.23 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.5 t -112.88 122.04 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 127.46 53.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 90' ' ' VAL . 60.7 t -118.74 121.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.7 t -124.26 129.75 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -141.39 158.85 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.41 131.15 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.13 48.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -92.81 160.62 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.2 p -82.1 -25.45 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -85.36 -16.38 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -127.5 120.93 22.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.7 0.762 . . . . 0.0 110.971 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.32 142.9 67.41 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -55.85 -42.43 70.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.77 -35.65 77.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -71.71 -35.57 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.08 -47.21 83.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.62 -42.5 95.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.4 71.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.02 -40.14 71.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.68 0.276 . . . . 0.0 110.886 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -63.88 -39.89 95.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.12 -36.05 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -46.41 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.36 -38.99 85.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.05 -39.43 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.51 -43.83 96.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.79 -42.54 93.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.72 -48.21 81.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.24 -33.61 76.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -69.65 -42.17 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.0 -40.19 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 172.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.75 -32.73 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -85.23 -23.18 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -99.99 -12.34 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.0 tp -148.98 126.89 11.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -176.195 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -107.18 119.19 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.97 135.51 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -125.86 140.42 52.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.14 150.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -128.18 140.03 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -170.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -142.72 150.15 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -124.74 127.56 47.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.75 149.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.24 68.67 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.42 22.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.504 0.668 . . . . 0.0 111.137 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -55.12 144.54 69.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.289 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.53 -47.81 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -174.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -41.86 99.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.44 -40.49 89.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.4 t -67.93 -43.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -59.27 -44.78 92.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.16 -41.76 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.98 -22.44 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -46.89 -48.26 21.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -128.83 79.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.06 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -124.56 147.9 57.1 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 161.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 21.0 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 175.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.8 m . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.888 0.375 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.9 m -125.48 132.5 52.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.71 130.89 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -135.23 150.58 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -170.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.0 m -132.57 131.02 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.092 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.05 129.59 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.057 -169.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.58 108.39 19.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 164.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.6 mt -85.16 88.77 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ptt85 -163.14 157.59 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.1 118.79 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.79 -11.23 72.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.74 153.88 44.58 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.68 153.29 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -143.84 155.05 43.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -150.07 144.14 25.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -175.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -138.96 130.06 26.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -112.64 131.47 55.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.3 ttp -122.3 134.11 54.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -133.06 147.64 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.825 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.91 150.73 45.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.21 -35.92 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.35 -2.29 58.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.5 79.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -85.06 -20.51 30.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 ptp -156.98 160.08 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.71 164.32 37.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 173.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -132.38 141.68 48.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -104.81 119.36 38.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -111.27 138.63 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.53 148.64 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.4 166.16 32.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.3 m -134.71 141.57 46.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.137 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -81.11 140.87 34.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -116.25 -29.93 6.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -151.3 135.18 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -138.88 124.98 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.23 101.11 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.86 31.89 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 160.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.25 18.36 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.78 -45.85 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.17 141.36 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 79' ' ' ILE . 19.4 tt -147.54 126.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -121.92 139.98 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -150.77 165.05 34.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.14 132.45 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.094 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -122.15 98.53 5.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.79 -124.77 29.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.541 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -95.2 18.62 11.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.93 174.19 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.6 p -133.03 156.56 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.91 148.02 36.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -137.21 130.06 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.0 134.49 63.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -122.23 139.88 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -116.11 120.55 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 125.64 54.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.996 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.65 122.69 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.91 158.17 46.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.535 0.683 . . . . 0.0 111.109 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.0 Cg_endo -64.31 -25.26 64.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -96.65 -21.71 17.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 175.7 -172.04 45.08 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.33 128.15 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 111.048 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.7 m -101.12 130.53 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.94 121.66 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.01 123.95 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -175.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -116.98 121.85 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -123.54 127.92 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -143.31 160.13 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.4 t -81.89 130.95 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.64 142.72 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.5 tt0 -96.73 131.14 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -20.73 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 96.6 mt-10 -78.7 -18.26 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -128.52 138.88 34.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.689 0.757 . . . . 0.0 110.883 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 141.55 80.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.28 -43.32 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.12 -39.83 93.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -73.21 -35.05 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.15 -49.25 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.13 -41.42 86.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.11 -47.69 78.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -70.8 -39.0 73.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.94 -40.95 99.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.93 84.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.023 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.79 -48.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.18 -34.96 79.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.23 -34.74 78.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -58.53 -40.2 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 127' ' ' PHE . 1.5 m-30 -55.74 -51.27 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.35 -42.91 99.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.17 -35.22 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -76.76 -38.08 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.48 -46.42 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.06 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -79.37 -24.76 42.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -107.67 -8.01 16.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.7 tt -143.33 115.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -175.486 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -108.34 122.51 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -108.52 128.77 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.3 m -120.89 131.25 54.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.67 142.63 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.62 140.64 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -147.89 132.24 17.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -98.38 128.49 44.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.52 -16.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.906 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 59.26 58.23 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 175.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.05 162.77 46.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.02 141.24 79.57 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 0.0 112.288 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.66 -49.79 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.35 99.89 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.481 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.84 -41.77 95.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.11 -45.39 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.2 m0 -66.22 -41.37 90.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.95 -33.29 75.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.52 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.471 ' CD2' HG23 ' A' ' 21' ' ' THR . 39.9 t80 -56.34 -47.19 79.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -175.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 20' ' ' TYR . 45.3 p -129.47 72.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.9 m -122.03 126.47 26.3 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 158.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -174.402 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.7 m -122.08 137.43 54.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -170.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.24 132.12 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.77 134.63 50.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -123.51 129.64 51.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 130.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.19 105.02 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -81.88 99.21 8.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -169.34 160.23 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.07 110.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -0.59 65.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.421 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.26 149.89 34.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.06 147.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -174.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -131.83 141.92 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 168.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 t -144.05 139.5 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -135.42 121.41 19.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.74 128.18 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.37 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -131.63 144.06 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' H ' ' A' ' 62' ' ' MET . . . -77.47 143.92 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.28 -34.6 61.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -90.36 -0.43 57.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.44 77.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -94.22 -31.73 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.403 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 71.4 mtm -125.21 168.55 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -170.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.96 166.08 31.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.566 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.02 141.9 36.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -112.99 106.7 15.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -110.27 134.34 52.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.41 144.88 34.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.81 167.73 33.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -133.31 137.79 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.79 134.15 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.0 p -109.57 -23.06 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -158.63 135.22 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.5 t -138.06 127.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -127.5 99.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.71 36.68 14.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 165.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 76.1 m-20 57.56 24.5 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 175.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.73 -39.87 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -130.49 112.24 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.92 125.1 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.03 134.36 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.4 168.32 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.28 133.71 55.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -126.0 107.55 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 -124.25 33.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -173.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.29 4.42 54.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.957 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -108.11 166.68 10.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 152.32 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 170.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.1 151.36 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.09 130.05 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.78 127.8 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.31 146.01 49.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -117.07 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 tp -114.65 125.34 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.87 119.69 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -110.38 159.06 33.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 175.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.2 Cg_endo -63.48 -25.37 70.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.294 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -99.44 -31.0 11.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.906 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . -177.02 -156.37 15.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.426 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.32 131.22 55.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.162 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.2 m -99.07 123.33 43.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.7 t -106.94 122.33 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -119.1 124.0 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.73 126.13 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 t -125.6 130.05 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -144.22 161.23 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 -172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.91 135.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.88 97.63 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -50.76 161.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.8 p -75.8 -17.63 59.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.198 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.89 -30.56 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -172.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.22 142.06 41.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.804 0.811 . . . . 0.0 110.816 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.89 141.52 77.55 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.693 2.262 . . . . 0.0 112.376 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.71 -45.66 82.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.0 -43.44 98.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.69 -38.15 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -70.68 -38.7 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.38 -46.05 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.41 -35.11 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.42 77.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.495 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.73 -33.71 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -61.26 -43.69 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.53 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.69 -47.84 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.42 -33.79 73.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.23 -43.3 98.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -38.42 90.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.07 -45.89 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.65 -43.86 98.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.54 -35.1 79.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -67.7 -42.04 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.11 -42.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.8 p -78.34 -22.65 47.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -105.05 -4.24 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.65 114.97 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 178.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.48 122.15 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.61 130.49 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.7 m -119.43 132.38 55.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.26 140.04 50.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -130.07 137.43 50.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -148.47 134.39 19.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.092 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -101.24 125.69 47.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.97 -15.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 60.33 56.21 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 174.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -143.85 162.2 42.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 36.9 Cg_endo -64.61 144.44 84.46 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.72 -48.41 87.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -168.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.83 99.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.475 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.22 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.817 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.1 -41.46 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 7.4 m95 -61.64 -41.37 97.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.31 -42.0 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.05 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CD2' HG23 ' A' ' 21' ' ' THR . 32.2 t80 -57.43 -40.18 77.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' CD2' ' A' ' 20' ' ' TYR . 60.1 p -130.66 69.26 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 175.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -117.95 126.57 27.2 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.567 0.698 . . . . 0.0 111.114 154.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 C-N-CA 122.784 2.322 . . . . 0.0 112.287 -175.102 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.929 0.395 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -123.91 132.03 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.13 133.23 54.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.08 134.47 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -174.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -128.97 127.8 42.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.19 132.86 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -117.99 110.22 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 165.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.51 99.74 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -170.08 158.39 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.46 111.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 171.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.32 -3.59 66.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.18 147.07 38.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.434 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.41 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.104 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -132.52 143.85 50.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 170.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -140.71 138.21 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.7 t -131.41 118.94 20.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.88 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.7 115.02 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -119.21 126.24 51.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.61 148.78 42.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.83 143.92 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -53.48 -34.96 59.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -90.1 -0.06 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.24 21.54 75.8 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -85.29 -29.02 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -158.9 164.88 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -173.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.12 169.0 40.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 171.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.83 142.83 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -106.37 117.9 35.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.23 138.92 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.83 146.86 39.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.038 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.74 163.94 30.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.434 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -137.46 140.15 41.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 56.0 m-85 -79.68 137.72 37.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -113.53 -29.12 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -151.67 133.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -136.75 126.32 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.69 101.5 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.76 33.48 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 161.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.97 30.7 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -118.28 -48.96 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -132.07 126.58 34.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.16 129.7 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.8 137.0 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 52.5 p90 -150.3 167.55 26.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -174.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.83 135.63 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -125.05 101.69 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.02 -124.07 27.54 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -91.46 -2.22 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.904 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -104.51 169.2 8.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.99 154.85 46.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.05 152.2 31.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -135.79 129.83 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 103' ' ' VAL . 91.1 t -111.85 128.04 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -128.27 141.64 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -109.73 129.73 55.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 168.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.44 119.6 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.67 162.75 18.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.517 0.675 . . . . 0.0 111.137 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 35.4 Cg_endo -62.17 -24.69 76.5 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.719 2.279 . . . . 0.0 112.298 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -98.61 -34.92 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.731 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . 179.55 -159.41 23.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.5 t -90.41 131.03 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.14 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -98.54 123.44 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 165.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.17 122.22 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 -172.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -118.82 122.46 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 90' ' ' VAL . 61.3 t -124.43 126.55 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -120.25 130.03 54.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.58 155.1 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.83 140.53 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.65 90.71 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -45.81 153.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -65.31 -21.88 66.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -78.94 -21.2 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -111.36 112.62 54.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 111.019 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.92 142.6 63.68 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.348 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.65 -44.01 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.35 -42.17 98.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -39.95 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -71.78 -42.11 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -56.97 -50.24 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -71.12 -40.05 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.22 -49.31 62.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -69.35 -36.68 77.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.681 0.276 . . . . 0.0 110.936 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -63.65 -40.42 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.02 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.12 -45.26 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.94 -37.55 84.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -41.36 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.13 -41.34 94.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.61 -44.73 90.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.88 -34.52 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -71.19 -39.71 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.33 -41.95 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -39.41 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -76.63 -19.79 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -99.63 -5.28 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.3 tp -148.69 112.53 5.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 173.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -109.83 129.95 55.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.8 mt -112.34 130.43 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.8 m -127.96 130.95 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 142.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.76 144.04 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.89 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p -140.19 141.52 35.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 m -120.09 129.12 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.18 149.39 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB3' HD13 ' A' ' 135' ' ' LEU . . . -85.65 60.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -140.08 147.76 51.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.115 -178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.09 142.86 82.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.323 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.08 -42.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 -173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.9 71.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -68.59 -40.23 80.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.25 -55.68 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -170.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -65.33 -34.2 77.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -63.23 -43.65 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.881 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.74 60.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -45.4 -45.42 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.0 m -135.76 84.82 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.2 p -123.48 144.19 43.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.488 0.661 . . . . 0.0 111.153 161.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo . . . . . 0 C--O 1.23 0.112 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 177.567 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.8 m . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.934 0.397 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.7 m -120.65 135.55 55.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.67 140.99 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.29 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -134.59 129.32 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.47 129.26 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -172.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -112.12 102.0 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.846 166.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.3 tp -82.55 101.61 10.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -168.92 159.51 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.9 111.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 174.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.0 78.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.7 149.85 40.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -142.76 154.94 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 169.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -149.9 146.63 27.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -132.75 122.88 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.24 127.45 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.5 mtt -116.53 126.45 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -128.51 144.44 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.12 123.65 24.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -50.29 -32.47 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -84.06 -1.94 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.51 15.15 81.41 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.7 p -83.57 -33.16 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.864 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.0 ptp -158.8 164.15 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -172.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.7 163.42 37.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.23 144.27 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -111.91 120.72 42.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.23 136.27 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.59 147.99 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.7 33.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.51 172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.9 m -130.85 139.73 50.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -78.85 142.8 36.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -112.76 -27.51 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.72 137.35 12.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -140.67 123.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -129.47 100.54 5.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.82 30.44 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 163.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 58.25 22.63 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -109.85 -40.17 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -135.53 125.12 25.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -137.52 124.89 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -124.14 136.95 54.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 50.4 p90 -149.76 164.99 33.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.951 -174.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.49 135.46 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -125.06 100.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.25 -121.35 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -98.41 15.23 25.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -128.79 174.35 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.2 p -130.0 155.31 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -150.17 148.6 29.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -139.82 133.57 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.69 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.16 143.04 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -119.35 120.86 38.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.64 124.62 52.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -89.28 117.57 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.775 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -111.81 159.79 32.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.087 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.3 Cg_endo -64.44 -25.67 63.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 176.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.98 -22.69 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.32 -171.51 44.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.89 129.49 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 111.028 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.2 m -104.98 130.72 53.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.58 127.0 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -113.1 120.07 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -121.94 124.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.7 t -129.51 131.02 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -136.52 154.68 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.785 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.3 t -75.03 130.32 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.92 139.71 52.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.43 127.46 35.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.0 p -62.69 -24.8 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.35 -14.88 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 97.8 m-85 -126.57 142.66 43.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 54.3 Cg_exo -55.06 135.98 71.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.32 -42.5 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.09 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -36.69 84.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.35 -50.55 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.75 -39.76 73.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.14 -51.95 45.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -65.54 -31.61 72.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 110.943 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -63.66 -45.2 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.68 -36.71 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.23 -47.77 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.54 -31.37 70.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.37 -35.44 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.87 -38.8 92.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 127' ' ' PHE . 3.0 m-30 -60.0 -44.59 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.93 -51.7 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.78 -34.0 77.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.72 -46.62 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.74 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.56 -42.62 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 174.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.51 -34.38 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -72.16 -15.52 61.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -99.23 6.49 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 11' ' ' ALA . 90.0 mt -94.96 -11.05 29.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.01 179.275 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -110.15 122.17 47.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.11 128.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -127.12 132.94 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.58 142.14 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -116.38 141.44 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -135.59 135.96 40.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.4 m -116.32 125.02 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.17 148.56 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.05 63.46 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.34 140.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 111.057 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.84 142.24 33.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.717 2.278 . . . . 0.0 112.387 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.24 -42.8 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.88 -42.59 69.99 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.05 -38.76 75.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.77 -54.78 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -44.93 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 -17.81 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 21' ' ' THR . 77.6 t80 -46.3 -54.11 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.42 HG23 ' CD2' ' A' ' 20' ' ' TYR . 13.5 p -135.14 80.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -110.04 146.99 35.32 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.141 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 81.3 Cg_exo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.624 2.216 . . . . 0.0 112.338 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.7 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.865 0.364 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -118.41 130.03 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.42 141.66 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 172.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -140.45 152.12 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -137.78 130.11 29.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 167.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -127.26 127.35 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -101.71 110.22 22.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 167.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.8 91.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -167.48 156.48 9.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.1 117.38 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.1 -10.76 74.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.482 -175.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 149.89 48.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.99 153.56 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.93 154.99 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 170.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -150.4 146.18 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -136.85 127.22 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -104.23 129.99 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.899 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -124.81 119.26 28.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -129.07 144.82 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -169.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.68 125.32 26.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -54.77 -33.33 61.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -83.07 -0.84 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.08 16.26 80.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 166.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -84.8 -30.07 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -158.38 164.8 35.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -173.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.83 158.93 31.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.405 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -132.53 141.37 48.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -111.95 123.03 49.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.26 134.95 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.2 162.97 30.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.6 m -139.19 143.42 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -79.28 141.12 37.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -114.99 -29.97 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -153.7 135.83 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -140.51 123.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.98 98.97 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.0 30.45 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 166.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 58.45 22.87 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -110.78 -43.91 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.71 123.3 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.5 mt -137.67 124.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -121.62 138.81 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.25 166.15 30.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.51 133.23 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -125.39 104.1 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.96 -126.3 31.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -97.35 19.89 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.87 174.18 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -132.38 157.81 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 153.8 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -142.47 137.21 30.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.95 137.58 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -122.98 143.29 50.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.86 123.56 47.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 128.05 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -82.88 120.22 25.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -103.53 161.81 21.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.521 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 56.7 Cg_endo -68.92 -29.93 27.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -100.78 -10.18 21.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.97 -167.08 37.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.405 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.0 t -121.69 131.75 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -110.04 138.89 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.62 130.58 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.16 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -116.09 119.99 37.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -122.3 128.39 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -122.58 133.83 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -118.86 153.41 34.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.51 128.18 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 160.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.57 152.19 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -79.99 151.94 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.9 p -88.4 -24.75 22.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.46 -10.55 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -128.59 145.99 58.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.87 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.02 145.61 74.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.92 -31.74 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.51 -43.95 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.84 -39.42 90.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -66.37 -48.35 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -60.9 -47.7 85.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.63 -38.59 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -49.22 63.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -68.72 -35.27 76.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.659 0.266 . . . . 0.0 110.885 -177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -65.04 -44.0 90.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.89 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.056 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.18 -44.27 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.64 -32.39 73.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.92 -38.59 91.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.7 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -57.71 -51.87 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.86 -36.48 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.15 -47.98 80.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.733 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.69 -45.1 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.75 -36.96 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -69.35 -17.97 63.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -99.98 3.27 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.0 -6.06 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 178.106 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 CA--C 1.526 0.025 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -109.94 128.25 55.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.7 mt -112.13 129.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.0 m -125.33 134.54 52.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.27 142.71 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -121.23 141.68 50.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -139.09 138.67 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -120.52 128.5 53.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 m -127.95 149.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.79 64.15 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.14 150.1 57.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 111.087 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.39 141.12 73.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -52.4 -41.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.65 -43.07 68.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.76 -36.24 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.961 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.58 -55.14 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -67.71 -33.69 75.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.65 -43.06 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -19.83 61.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -48.71 -42.18 34.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -136.69 80.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.2 p -119.78 144.98 38.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.563 0.696 . . . . 0.0 111.159 162.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 176.146 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.869 0.366 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.7 m -135.67 140.42 44.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 171.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.05 131.1 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.36 138.44 47.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.3 m -130.41 129.67 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -130.31 125.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 -173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.93 104.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.818 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 tp -82.84 100.7 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -167.95 159.73 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.17 111.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.47 -5.09 80.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.46 151.0 37.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 152.42 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 111.01 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -143.19 155.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -152.89 146.15 24.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -141.09 127.7 20.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -109.87 129.93 55.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.13 135.38 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -129.18 145.99 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 146.61 54.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.68 -34.57 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.48 -0.8 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.38 77.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -86.23 -22.01 27.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -159.99 165.15 32.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.07 170.05 42.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -134.95 144.66 47.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -106.81 120.08 41.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 137.51 48.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.25 147.74 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.23 168.24 33.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -131.56 139.37 49.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 111.132 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -77.27 142.09 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.5 p -112.9 -27.03 8.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -157.21 136.24 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -140.26 123.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.089 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -129.78 101.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 53.38 30.51 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 164.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 58.91 20.57 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.784 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -110.15 -40.02 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -130.19 119.85 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.4 mt -135.8 118.46 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.92 138.66 53.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -149.86 165.05 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.97 133.15 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -125.08 100.07 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -123.97 27.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -96.3 15.44 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -134.67 175.03 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -131.62 156.07 46.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.54 150.5 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -137.14 135.85 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.0 134.33 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -125.1 142.69 51.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -118.08 124.16 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 tp -115.06 124.15 50.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -88.31 118.84 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.51 158.97 37.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.579 0.704 . . . . 0.0 111.07 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 41.0 Cg_endo -64.4 -25.37 63.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.81 -24.72 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.989 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.45 -171.69 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -114.04 127.93 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 111.14 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 m -104.44 129.7 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.15 124.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -112.81 121.16 43.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.49 124.05 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.1 t -127.61 132.49 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -137.58 155.29 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.1 t -83.58 132.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.98 145.75 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 89.0 tt0 -92.25 129.0 38.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 175.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.9 p -66.11 -21.29 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 74.4 mm-40 -72.79 -12.76 61.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -128.08 142.18 43.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.709 0.766 . . . . 0.0 110.869 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.99 136.49 73.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.66 -42.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.25 -41.48 96.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.51 -37.22 86.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -70.71 -42.55 70.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -61.58 -51.93 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.32 -39.39 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.7 48.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -66.02 -33.23 75.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.655 0.264 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -63.75 -45.36 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.96 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.45 -46.42 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.2 mp -68.75 -33.7 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.61 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -60.62 -42.45 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -58.82 -48.35 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.1 -34.87 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -63.54 -39.83 95.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.4 -44.93 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 172.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.27 -32.38 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -67.48 -20.03 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.23 6.06 42.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.9 11.9 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 178.214 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.811 0.338 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.6 120.82 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.05 130.67 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -124.84 129.85 51.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.8 t -134.81 141.22 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -122.91 145.96 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -146.81 140.1 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -115.44 125.29 52.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.34 149.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 63.61 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.05 149.0 50.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -65.1 141.3 69.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.8 -40.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.06 -42.75 82.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -74.02 -34.02 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.983 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.51 -53.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 -172.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -67.01 -30.87 71.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.69 -45.32 79.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.73 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -45.47 -43.59 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -134.7 87.17 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -121.29 149.7 52.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.131 163.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 48.0 Cg_endo . . . . . 0 C--N 1.34 0.116 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 174.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.913 0.387 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.6 m -128.63 131.89 48.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.78 41.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -138.72 138.57 37.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -133.89 129.17 36.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.04 134.99 61.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -111.01 100.67 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 166.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -80.52 99.66 8.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -168.88 159.75 9.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.78 111.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.91 -8.5 76.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.05 150.54 41.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.526 -177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.56 155.4 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.1 155.03 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 170.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -152.71 145.29 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -142.71 129.91 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -105.56 128.65 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mtt -119.19 134.76 55.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -128.32 147.09 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 146.76 54.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -58.4 -32.93 69.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -90.25 -1.01 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.62 76.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -159.99 165.02 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.93 170.82 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -136.97 149.95 47.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -105.62 119.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -104.36 132.33 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.35 141.91 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.32 170.76 34.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.57 138.89 50.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 111.154 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -76.05 140.83 42.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.9 p -111.43 -27.67 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -158.5 136.18 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.03 125.39 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.15 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.5 99.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.44 32.11 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 164.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.73 21.23 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -109.94 -40.1 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -131.17 119.98 22.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.3 mt -133.22 117.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.17 137.71 54.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 38.5 p90 -149.16 163.18 38.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.81 143.99 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -137.53 103.7 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.47 -119.97 12.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.5 8.79 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mtm105 -116.4 166.81 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.6 p -129.95 157.81 41.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -149.98 146.14 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 175.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -138.91 134.13 32.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.97 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.58 133.71 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -124.88 147.23 48.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -120.06 126.59 51.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.02 122.16 46.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -86.0 120.33 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -118.34 158.46 46.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.086 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.0 Cg_endo -63.71 -24.99 68.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.67 -25.72 15.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.59 -169.57 41.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -176.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.02 128.06 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 111.065 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.9 m -101.65 130.0 47.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.63 124.19 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -113.1 121.67 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.19 125.02 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.156 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -128.01 126.88 42.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -143.05 159.28 42.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -171.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -83.62 133.61 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.27 141.8 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -74.12 124.89 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.8 p -66.64 -25.85 66.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.89 -17.06 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.74 155.02 75.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.713 0.768 . . . . 0.0 110.894 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 139.76 83.98 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.261 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.46 -43.98 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.057 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.32 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.12 -39.0 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.23 -39.95 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.63 -47.26 86.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.98 -36.07 82.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.81 -48.97 71.59 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.689 0.281 . . . . 0.0 110.917 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.3 -43.22 98.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 176.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.34 87.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.42 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.87 -34.4 73.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -65.5 -40.8 93.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.11 -36.92 82.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.92 -45.64 86.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.54 -44.01 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.41 -35.01 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -64.5 -43.16 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.3 -43.65 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.95 -36.95 85.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.4 p -85.78 -22.77 27.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -93.26 -13.05 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.77 32.89 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 178.091 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -108.84 126.75 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.95 129.53 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -122.09 131.4 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -133.38 141.36 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.98 144.63 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -145.77 138.73 25.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -116.61 128.58 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -173.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.16 148.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.59 63.7 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.77 148.31 52.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.086 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.34 140.9 72.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.764 2.309 . . . . 0.0 112.322 176.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -52.38 -41.52 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.12 -43.99 73.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.06 -33.81 70.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.8 -54.46 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -70.73 -30.96 67.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -64.86 -43.87 91.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.31 -18.17 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -53.17 -41.67 65.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -174.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 p -135.65 79.85 1.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 p -124.48 147.49 55.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.058 158.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo . . . . . 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 178.027 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.7 m -135.16 133.48 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.8 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.71 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 171.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.68 126.17 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -93.37 108.58 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.09 84.0 7.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -169.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -165.19 156.96 15.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.01 119.66 8.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.54 -8.29 78.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.36 152.51 48.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.05 150.71 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.011 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -144.77 158.82 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.7 p -153.39 154.89 35.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -137.13 126.07 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -103.9 113.0 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.1 mtt -120.27 134.92 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.84 153.95 48.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.97 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.12 151.81 46.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.95 -34.36 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -91.07 -0.34 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.67 21.65 76.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.44 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.3 p -85.23 -20.62 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -160.0 163.9 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.65 169.66 42.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.23 140.78 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.69 117.78 35.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -105.95 137.56 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.56 145.28 34.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.95 34.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.426 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 m -136.19 143.34 44.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.58 140.35 42.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.0 p -114.2 -28.85 7.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.88 134.36 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.6 t -138.24 124.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.91 99.08 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.05 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 52.99 29.83 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 58.07 23.32 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -108.14 -42.48 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.99 124.45 29.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.0 mt -134.82 127.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.08 135.31 54.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 48.5 p90 -150.94 166.42 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -173.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.7 133.13 55.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -119.54 98.08 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -174.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.94 -124.47 23.55 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -89.88 6.73 40.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 83.4 mtm180 -119.3 175.21 5.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.8 p -127.26 156.24 42.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -151.14 147.47 27.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -138.61 131.46 29.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.28 135.14 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.31 142.61 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -116.23 121.04 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.28 128.01 56.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -83.44 121.19 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -112.42 159.28 34.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.504 0.668 . . . . 0.0 111.126 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.3 Cg_endo -63.87 -29.01 67.46 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.28 -24.87 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -175.28 -163.94 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -175.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.26 129.7 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 111.122 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.9 m -101.44 129.96 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.82 124.32 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -115.9 120.65 39.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.85 124.04 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t -123.95 129.01 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -142.14 159.02 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.1 t -77.39 135.81 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.72 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -76.46 128.46 34.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.9 p -69.01 -25.93 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.15 -14.45 60.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.08 147.13 58.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.705 0.764 . . . . 0.0 110.887 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.05 141.34 79.52 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.28 -33.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.58 -39.24 84.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.4 -41.77 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.36 -43.44 66.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.7 -49.79 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.57 -40.95 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.65 71.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.754 0.312 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.65 -39.88 95.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.05 78.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.68 -43.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.05 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -67.05 -35.94 80.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.69 -47.78 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 171.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.93 -50.24 74.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.4 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -62.22 -44.26 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.25 -43.94 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 174.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.02 -33.49 74.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -74.61 -20.41 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -100.74 -9.03 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.6 35.27 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -175.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -110.3 124.66 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.4 127.76 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.3 m -121.83 130.93 53.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -134.72 142.24 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.59 142.49 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -140.54 128.8 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.2 m -102.06 126.69 49.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.24 147.85 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.28 65.41 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.86 148.56 52.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.66 138.51 64.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.2 -33.4 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.148 -166.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.72 97.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.91 -30.8 65.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.9 -55.16 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -73.73 -26.98 60.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.32 -45.0 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.06 -22.95 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.147 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -58.9 -32.67 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.3 p -123.59 71.22 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.123 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -122.88 156.02 62.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 111.123 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.607 2.205 . . . . 0.0 112.328 174.018 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.9 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.862 0.363 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -132.95 128.62 36.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.86 132.42 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.9 46.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -122.64 125.97 46.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 169.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.37 123.92 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -171.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -102.49 106.29 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 167.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.85 89.52 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -173.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -164.84 158.79 17.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.11 118.1 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.02 -6.08 82.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.04 158.65 52.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.69 152.09 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.88 156.88 45.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 171.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -151.46 142.48 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -131.89 125.09 30.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.784 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -114.98 125.39 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -113.54 132.92 55.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -129.02 146.24 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.12 146.28 49.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.6 -29.3 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.917 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -95.08 -0.06 53.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.1 21.93 75.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -86.64 -24.54 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.424 . . . . 0.0 110.939 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.96 164.4 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.49 168.99 42.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.26 148.11 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -118.9 118.64 32.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.36 139.0 49.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 147.76 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.32 167.65 33.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.9 m -134.49 138.92 45.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 111.093 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -76.87 139.9 40.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -111.76 -25.14 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.86 133.01 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.76 126.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.33 100.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.29 29.66 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 57.79 22.4 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -106.19 -39.66 5.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -129.15 118.35 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -129.74 123.02 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -172.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.0 134.75 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -150.49 168.48 24.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -173.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.38 132.26 56.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.49 106.09 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.76 -126.09 29.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -97.02 11.13 37.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -119.06 170.46 9.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.0 p -124.08 153.14 41.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.81 149.28 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.03 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.46 129.76 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.7 t -121.58 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.14 143.61 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -117.13 130.81 56.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 tp -118.08 123.85 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -90.13 117.09 28.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -109.79 161.99 22.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.052 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.4 Cg_endo -66.82 -26.78 44.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.81 -25.67 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -173.31 -171.68 38.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.27 131.57 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.917 0.389 . . . . 0.0 111.056 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.3 m -106.68 133.54 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.68 127.92 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.163 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -114.35 123.06 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.42 123.06 69.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.197 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -125.95 123.04 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.67 159.23 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -170.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.89 133.58 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.84 133.18 47.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -62.56 129.68 41.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.7 p -73.64 -26.15 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.27 151.9 70.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.71 0.767 . . . . 0.0 110.941 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.72 145.68 81.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.271 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.66 -33.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.48 -43.38 97.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.96 -41.39 95.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.04 -50.29 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.41 -40.88 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.82 67.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -70.98 -31.07 67.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -62.72 -41.71 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 170.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.22 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.02 -46.06 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.1 -32.0 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.35 -38.54 91.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 173.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.09 -37.46 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.47 -44.78 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 173.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.66 -47.89 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 -34.89 79.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.46 -45.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.78 -31.78 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -75.09 -20.61 59.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.6 -11.57 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.77 35.21 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 177.619 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -106.61 128.52 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -111.54 129.67 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.2 m -122.67 132.74 54.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -132.32 139.98 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -122.77 137.03 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -138.57 134.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -111.32 124.76 52.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.41 148.38 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.6 68.01 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.34 144.5 31.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.9 140.28 48.74 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.42 -43.61 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.96 92.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.82 -36.42 70.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.05 -55.77 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -66.26 -35.34 80.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -69.08 -43.08 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -19.73 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -53.73 -40.13 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -130.82 75.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -124.13 129.01 24.89 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 121.506 0.669 . . . . 0.0 111.134 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 83.2 Cg_exo . . . . . 0 C--N 1.34 0.129 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 97.8 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.893 0.377 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.1 m -127.71 134.39 49.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.59 123.21 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -139.79 146.33 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -176.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -131.2 130.01 42.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.68 125.36 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -170.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -104.44 108.88 20.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 166.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.23 91.63 8.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -167.04 158.24 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 117.66 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.75 -11.32 72.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.553 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.71 150.55 41.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.81 153.04 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.025 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -144.04 156.39 44.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 173.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -151.8 141.13 21.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -136.28 125.1 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -113.22 129.67 56.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.2 mtt -118.17 138.0 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 56.7 mm-40 -130.17 151.01 51.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 149.66 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -58.07 -29.85 65.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -95.1 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.34 21.15 77.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 172.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.2 p -83.3 -22.29 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.857 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.1 ptp -156.34 164.77 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -176.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.27 39.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.426 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.98 148.47 50.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -115.57 120.64 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.28 141.13 48.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.09 147.37 46.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.35 167.55 33.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -138.51 142.48 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -80.84 138.36 36.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -114.45 -26.44 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.201 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -155.11 135.29 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.8 t -139.48 125.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.039 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.26 99.2 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -175.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.58 31.45 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 166.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.65 21.95 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -111.69 -40.19 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -134.3 126.36 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -135.06 126.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.75 135.52 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.12 166.52 29.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.77 131.14 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -119.07 100.0 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.48 -127.68 23.64 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.402 -174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -92.73 11.82 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -120.07 175.74 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -128.39 154.34 46.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.97 146.82 27.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -137.45 130.26 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.02 134.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -124.05 144.6 49.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.49 126.68 51.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.91 132.45 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.77 120.44 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -111.21 159.03 34.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.025 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.3 Cg_endo -64.14 -28.98 65.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -95.9 -22.42 17.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -178.94 -164.46 31.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.412 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.35 129.74 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 m -105.41 133.9 49.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -174.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.04 127.19 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.66 125.62 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.39 126.99 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.7 t -123.06 127.73 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -140.54 158.17 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -170.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.05 133.17 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.22 133.83 45.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.88 126.34 29.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.5 p -68.6 -26.81 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.58 -17.75 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -124.89 152.1 69.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 144.2 69.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.57 -44.16 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.69 -36.94 85.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.62 -42.02 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.21 -48.66 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.49 -40.15 73.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -47.63 79.97 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.4 -33.02 66.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.279 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.06 -39.4 92.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.18 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.57 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.27 -38.02 88.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.26 93.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.83 -47.24 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.74 -51.59 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.67 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.75 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.87 -45.74 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.72 -35.94 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.0 p -75.77 -20.97 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -105.23 -12.97 15.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -115.14 41.89 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 178.733 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 99.0 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.71 137.43 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' GLN . 4.9 mp -98.01 128.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -165.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.6 m -121.15 132.0 54.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 171.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.47 156.35 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.21 140.0 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.2 m -136.13 135.2 39.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -110.12 120.09 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.03 128.34 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.98 73.64 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -154.73 161.3 29.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.028 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 37.6 Cg_endo -62.93 148.61 93.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 69.5 t -57.04 -50.27 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -166.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.81 97.87 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -66.07 -41.07 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 77.0 t -66.21 -46.47 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -64.8 -41.42 95.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.09 -40.45 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -52.48 -51.1 61.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -134.38 83.9 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.5 m -133.49 128.4 20.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.149 162.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -177.75 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.846 0.355 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p -127.73 146.56 50.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -168.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.33 137.07 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 168.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.43 145.29 50.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.013 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -132.89 122.11 23.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 163.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.02 136.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -170.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.51 105.62 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.64 89.17 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -169.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -164.63 154.99 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.63 120.2 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.01 -13.5 66.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.429 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.5 158.28 48.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.495 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.34 153.22 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.041 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -142.03 153.58 44.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -148.03 141.36 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -142.16 124.42 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -99.86 128.86 45.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.5 ttm -119.85 130.09 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -130.46 148.62 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.91 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -55.87 -35.77 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -85.95 -2.2 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.51 19.2 77.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.9 p -83.03 -23.08 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.05 164.83 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.12 171.98 44.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.394 173.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.97 143.91 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.31 119.9 39.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -106.79 112.0 24.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.67 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.61 175.0 36.53 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.399 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -130.74 137.93 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -78.14 142.87 37.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.3 p -115.11 -25.04 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.202 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -155.66 134.61 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -141.07 123.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.0 98.89 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.089 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.82 34.07 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 165.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.58 19.78 6.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.49 -31.26 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -134.51 120.72 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.3 mt -136.33 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -125.06 136.65 53.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -151.06 169.23 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -171.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.83 133.21 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -116.84 95.32 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.91 -118.98 9.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -98.8 20.92 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.12 173.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.8 p -131.6 159.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 151.93 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.54 131.25 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.93 131.88 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -126.5 144.86 50.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.24 127.56 54.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.29 127.28 55.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -82.69 120.02 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -116.4 154.45 48.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.07 -26.31 65.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.633 2.222 . . . . 0.0 112.397 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -91.45 -25.82 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 174.94 -167.94 40.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 89.2 t -103.1 123.74 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 m -96.86 124.11 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.85 122.05 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -117.05 124.53 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.98 123.74 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -132.8 126.23 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.36 159.09 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -172.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -83.23 137.66 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -60.94 123.41 17.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.9 142.91 27.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.0 m -65.02 -37.4 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.78 -28.38 61.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.45 115.96 44.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.41 146.94 39.27 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.757 2.304 . . . . 0.0 112.262 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.58 -45.7 59.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.26 -40.24 95.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.8 -38.5 89.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -74.17 -41.11 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.437 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -57.75 -49.96 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.08 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.47 -52.03 38.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -70.65 -32.95 70.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -63.7 -43.09 97.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.41 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.95 -45.01 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.57 -40.46 97.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.56 -33.06 74.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.29 -35.39 78.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -57.35 -40.65 78.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.64 -40.48 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 174.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.28 -35.26 71.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.4 -47.86 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 11' ' ' ALA . 60.2 t -59.97 -45.45 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.14 -38.88 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.0 p -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.26 14.0 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.6 tp -151.98 118.63 5.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.55 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -97.42 121.74 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 5.1 mp -110.54 129.76 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -124.45 137.91 54.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.27 156.96 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.46 138.8 33.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.8 m -141.53 137.37 31.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 m -114.06 125.02 53.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.74 133.08 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.43 72.49 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 131' ' ' VAL . . . -149.52 157.87 38.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.588 0.709 . . . . 0.0 111.051 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.83 145.88 38.22 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.456 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.4 t -57.25 -49.52 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.066 -171.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.1 99.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -39.57 92.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 63.2 t -67.64 -48.33 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -66.41 -41.97 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.37 -38.97 85.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.02 60.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.022 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -49.03 -49.42 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.9 m -132.37 83.02 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.4 m -127.92 128.46 23.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.55 0.691 . . . . 0.0 111.11 166.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.341 0.172 0 C-N-CA 122.601 2.2 . . . . 0.0 112.402 -177.747 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.8 m . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.85 0.357 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.2 m -124.46 127.82 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -166.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.47 128.58 45.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 172.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.35 132.2 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -124.96 129.18 49.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -135.59 131.15 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -165.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -110.38 105.35 14.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 162.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.4 mt -84.8 84.53 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -165.11 161.62 19.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.07 114.42 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.53 65.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.41 145.74 29.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 147.23 26.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 t -141.01 136.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -135.27 126.09 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -107.0 121.83 45.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.5 ttp -113.3 127.92 56.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 174.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -129.86 145.96 51.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 144.51 56.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.47 -34.09 70.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -88.22 -0.98 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.16 19.61 77.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -82.14 -22.16 36.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.02 164.93 32.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.15 171.82 44.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -132.19 140.25 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -100.58 119.37 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -107.97 136.62 47.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 145.44 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.04 170.22 34.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.408 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -134.87 139.28 44.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -83.35 137.22 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.5 p -110.32 -21.89 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.176 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -154.69 132.71 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -141.34 122.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.65 101.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 52.17 34.95 15.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 164.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 56.42 22.57 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -114.02 -40.9 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.89 122.03 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.5 mt -136.43 121.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -174.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.87 133.66 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -154.53 173.03 16.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -172.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.85 127.98 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -114.7 96.75 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -170.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.26 -128.24 24.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.555 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.36 16.01 8.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -134.62 -179.99 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -127.23 158.05 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.74 151.49 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.91 131.84 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.3 t -114.41 130.82 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.32 144.42 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.19 128.14 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.99 127.79 56.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -84.02 120.03 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.53 155.46 47.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.154 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.13 -26.54 72.95 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.39 -25.07 17.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.16 -169.36 41.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 13' ' ' VAL . 83.1 t -107.91 123.53 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -101.17 130.33 47.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 124.05 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -117.74 125.86 51.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -121.31 123.87 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -123.55 130.48 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -139.79 155.9 47.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.78 138.29 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -65.18 131.3 46.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -176.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -100.28 144.33 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -66.69 -37.52 84.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -75.67 -28.96 58.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -111.57 121.37 40.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.98 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -52.79 142.98 49.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.26 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 67.3 t -55.4 -46.7 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -37.78 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.58 -40.46 95.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.55 -43.03 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.14 -48.67 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -68.91 -38.51 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.71 -48.95 66.89 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -66.57 -35.64 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.09 82.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.49 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.34 -40.2 93.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.92 -36.68 85.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.44 -40.38 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.962 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -61.13 -41.91 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.98 -46.81 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.25 -46.5 88.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 11' ' ' ALA . 54.1 t -60.69 -45.78 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.98 -35.5 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.3 p -74.93 -19.88 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -120.01 8.41 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.6 120.98 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -178.069 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 98.9 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.49 141.4 36.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.27 127.32 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -165.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -119.96 135.03 55.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.27 140.45 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -137.58 135.66 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -138.37 141.19 39.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -115.49 130.06 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.9 148.31 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.45 64.65 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.47 144.94 29.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.86 149.95 88.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.24 . . . . 0.0 112.442 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.22 -35.0 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -171.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.89 -44.0 98.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -66.3 -44.72 82.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.884 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.47 -47.56 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -62.75 -44.25 96.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.5 -45.97 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.21 -20.89 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.45 -49.53 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -135.04 79.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.1 m -119.21 126.81 26.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 166.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.567 2.178 . . . . 0.0 112.332 -173.152 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 80.8 m . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.862 0.363 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -122.91 136.43 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.31 132.83 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 169.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.28 53.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.12 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -132.13 127.13 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 169.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.3 133.09 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -170.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -94.81 106.75 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 163.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.2 79.78 8.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -169.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -165.31 154.41 12.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.44 124.21 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.35 70.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.402 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.4 158.97 40.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.56 150.98 22.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.062 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -147.78 160.4 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.6 p -152.11 151.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -145.22 126.91 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -112.46 126.47 55.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.9 ttp -118.71 132.68 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -129.48 149.06 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.94 152.06 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.49 -40.32 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -88.37 -0.46 57.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.34 20.03 73.02 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.374 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -80.31 -25.08 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.88 163.71 39.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.88 169.73 42.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -116.62 134.48 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.3 110.66 22.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 172.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -108.64 138.17 45.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.59 156.37 44.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.7 157.64 28.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.4 m -124.35 134.66 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 167.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -75.49 137.5 40.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -168.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.7 p -114.36 -24.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.217 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -156.23 132.45 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.5 t -138.98 123.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.91 101.05 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 52.07 32.94 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 168.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 58.37 19.03 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -109.05 -40.13 5.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.63 116.04 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -131.56 127.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.2 137.16 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.67 164.93 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.44 138.47 50.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.34 90.85 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 178.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.71 -117.94 7.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.546 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -97.1 15.51 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 110.832 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.1 174.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -130.85 159.56 37.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 155.0 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -139.24 135.05 33.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.929 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 103' ' ' VAL . 62.0 t -115.27 128.59 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.94 145.81 49.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.97 129.91 55.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.26 126.51 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 175.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -86.16 120.48 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.76 158.34 39.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 176.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.2 Cg_endo -64.07 -26.81 65.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -96.11 -27.07 15.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.506 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -177.84 -169.11 38.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.65 131.54 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 111.076 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.5 m -106.29 130.44 54.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -116.96 129.01 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.51 127.09 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 90' ' ' VAL . 60.4 t -120.51 122.21 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -131.68 132.8 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -137.51 155.37 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.92 139.23 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -70.07 140.21 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -175.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -86.36 149.33 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.9 m -79.12 -40.53 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.82 -24.32 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -174.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.0 m-85 -110.94 136.41 20.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 76.2 Cg_exo -55.43 140.88 82.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.38 -45.82 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -65.57 -44.21 87.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.978 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 9.0 mm-40 -74.64 -34.63 62.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.003 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.61 -43.13 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.81 -46.66 88.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -70.95 -37.51 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.69 0.281 . . . . 0.0 110.95 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.42 -41.49 96.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.77 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.6 tt -75.32 -32.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.8 -36.77 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.33 -34.99 79.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 172.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -64.61 -35.35 80.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 171.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 130' ' ' HIS . 18.9 m-30 -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.47 -44.77 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 170.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.44 -31.43 72.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 127' ' ' PHE . 64.5 t60 -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.55 -44.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.23 -34.43 75.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.4 p -72.4 -16.9 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -113.95 7.28 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 135' ' ' LEU . 3.2 tm? -142.36 110.27 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -178.191 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -97.78 120.4 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.67 126.28 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -122.57 134.18 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.18 140.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -123.44 146.39 48.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -145.27 138.87 26.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -115.81 127.77 55.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.99 128.64 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 69.98 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.95 159.76 31.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 111.075 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -54.18 144.52 58.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.754 2.302 . . . . 0.0 112.318 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.7 t -56.81 -47.49 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -174.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.71 99.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.12 -40.25 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.65 -46.74 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -66.41 -42.55 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.77 -43.62 79.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.49 60.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -49.5 -46.33 48.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.989 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -133.16 74.28 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -113.49 127.2 27.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.521 0.677 . . . . 0.0 111.127 167.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 -176.261 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.869 0.366 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.0 m -127.68 121.38 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.192 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.36 134.31 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.151 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.22 137.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -126.87 125.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 166.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.71 127.05 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -94.67 104.97 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 80.04 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -164.33 157.7 17.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.06 123.1 15.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.29 -7.16 78.36 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.3 40.63 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.479 -176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.91 151.25 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 111.028 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -141.24 155.1 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 173.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -151.49 143.48 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -137.98 126.56 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -110.04 123.65 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.4 mtt -112.59 134.05 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -127.71 145.09 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.8 155.65 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -58.13 -35.05 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.24 -0.96 57.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.22 20.86 71.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.9 p -85.52 -20.72 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -157.34 164.25 37.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.67 170.95 43.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -121.7 137.97 54.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.51 115.78 30.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -104.08 131.27 51.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 144.79 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.22 168.75 35.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -131.73 139.08 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 111.182 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -78.39 142.63 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.9 p -115.0 -23.18 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -160.08 133.85 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.2 t -139.77 123.71 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.67 100.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.057 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 50.06 35.06 9.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 165.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 59.02 19.59 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.21 -38.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -128.36 121.12 28.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.5 mt -130.84 121.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -116.81 136.59 52.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 171.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -149.89 164.91 34.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.71 133.2 55.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.147 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -115.8 95.61 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -121.99 15.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.556 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -94.0 15.33 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 110.881 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -134.05 174.44 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -133.15 159.22 40.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.33 155.13 37.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -134.94 133.68 39.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -114.21 128.99 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.062 175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.35 144.42 50.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.6 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.3 145.25 43.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -89.7 116.28 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -99.02 159.85 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.422 0.629 . . . . 0.0 111.234 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.9 Cg_endo -62.97 -29.39 75.73 Favored 'Trans proline' 0 N--CA 1.466 -0.115 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -90.3 -27.46 19.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.33 -166.65 37.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 94.5 t -100.07 121.67 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 111.06 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.0 m -103.53 129.93 50.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 -174.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.2 t -115.77 126.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -112.02 123.8 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.06 120.89 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 t -126.52 132.25 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -138.5 158.51 44.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.5 t -93.16 135.98 26.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 176.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.06 154.16 35.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.08 154.19 29.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -79.9 -36.58 36.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 175.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.16 -15.1 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.67 145.31 49.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.681 0.753 . . . . 0.0 110.929 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.4 142.95 74.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.25 -31.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -176.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.09 -43.44 92.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.43 -40.5 85.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.65 -42.26 82.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -57.89 -51.02 71.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -69.85 -42.5 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.31 51.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.63 -39.67 94.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.89 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.23 -45.38 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.9 -34.97 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.97 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.34 -40.84 97.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 173.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.26 -39.09 91.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.23 -45.39 93.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -65.27 -33.76 76.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -66.03 -40.62 91.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.06 -40.0 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.58 -36.03 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -67.23 -17.56 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -105.01 -2.88 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.7 tp -142.81 114.89 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.23 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -100.11 120.5 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 80.7 mt -103.46 127.82 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 174.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -121.03 132.49 54.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -132.15 139.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -124.71 136.08 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -136.61 133.86 36.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -114.95 125.54 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -120.59 133.27 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.17 72.18 10.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.022 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.81 160.99 30.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.036 -176.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.02 144.98 54.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.381 174.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.92 -34.38 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -45.99 94.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -66.74 -44.28 81.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.864 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.18 -45.9 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -65.93 -43.65 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.99 -35.04 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.39 -23.19 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.22 -41.73 89.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -174.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.1 p -135.05 70.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -124.68 117.53 26.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.52 0.676 . . . . 0.0 111.23 164.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.414 -179.203 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.872 0.368 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -130.27 135.46 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -169.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 137.46 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.88 146.05 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.048 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -132.71 126.38 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 165.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.9 125.6 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -90.96 112.19 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.62 79.31 9.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -165.95 157.23 13.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.91 124.01 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.11 -8.89 78.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.0 152.57 48.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.01 152.68 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -144.86 157.29 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 172.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -151.68 152.08 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -141.67 126.02 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -107.17 126.12 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.4 mtp -119.22 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -132.09 150.3 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.6 141.19 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.009 172.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -52.76 -38.53 61.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -85.01 -0.79 55.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.06 19.6 77.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.439 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -83.8 -26.44 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 -176.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.93 163.78 33.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.834 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.22 169.51 42.64 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.0 137.57 47.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.08 120.08 40.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.13 137.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.68 145.03 33.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.19 171.03 35.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -138.48 144.03 39.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.727 0.299 . . . . 0.0 111.127 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -77.93 143.96 37.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.2 p -115.06 -26.42 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.189 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.62 134.44 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.3 t -141.45 123.32 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.3 98.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 52.43 30.74 8.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 165.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 58.84 21.08 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.79 -39.98 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -130.22 119.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -136.88 125.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.97 136.56 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 174.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.77 166.48 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.09 139.14 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 45.4 p90 -129.68 114.9 16.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.84 -131.61 28.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.531 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.48 23.93 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.826 172.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -133.06 171.99 13.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 58.1 p -132.16 156.14 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.69 154.03 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -139.3 133.61 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.804 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.94 134.99 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -119.26 144.09 46.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -119.96 133.66 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 pp -136.58 143.18 43.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -94.12 119.36 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -101.72 160.12 27.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 111.167 175.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -63.1 -28.62 74.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.768 2.312 . . . . 0.0 112.283 177.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.55 -25.85 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.5 -170.2 42.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.23 124.31 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 m -106.76 131.66 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.11 126.21 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -116.58 122.93 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -175.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.6 127.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.9 t -127.04 128.1 45.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -142.39 160.53 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.51 135.18 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.66 145.53 45.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 -173.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -77.76 155.3 31.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.0 m -81.5 -37.27 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.66 -20.07 54.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 87.3 m-85 -115.67 137.54 23.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 62.0 Cg_exo -55.0 143.78 71.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.3 t -56.72 -45.53 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -37.4 87.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.8 -39.9 95.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -73.06 -39.67 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.15 -48.18 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.989 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -72.13 -41.22 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.97 90.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -68.83 -38.16 79.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.671 0.272 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -62.53 -40.04 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.42 79.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.059 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.04 -45.07 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.26 -37.72 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.99 -36.23 83.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.12 -41.01 99.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -62.9 -42.89 99.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -50.78 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -67.89 -34.94 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.09 -46.98 81.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.46 -41.21 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -73.3 -10.84 60.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -107.38 1.71 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.8 tp -149.73 119.2 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 178.429 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -100.09 120.02 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.0 mt -102.83 128.86 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.0 m -121.15 132.8 55.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.11 157.03 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -141.84 136.69 30.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -140.91 133.87 29.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.1 m -112.05 125.65 54.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.46 131.08 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 75.79 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -156.91 157.44 30.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.013 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.74 145.72 59.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.76 -36.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -175.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.93 96.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.81 -42.95 80.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.822 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 71.0 t -67.61 -49.74 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.057 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 46.9 m0 -65.21 -42.28 93.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -174.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.25 -41.12 86.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.834 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.1 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -47.85 -55.05 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -135.53 86.45 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.0 m -127.63 129.64 23.78 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 166.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.283 -178.157 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.8 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.877 0.37 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 94.3 m -122.55 116.4 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 -169.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.53 134.4 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.58 138.52 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.074 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 122.03 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 168.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 51' ' ' PHE . 6.5 m -130.78 135.67 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -100.51 107.86 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 164.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.93 88.33 7.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -165.57 157.13 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.28 119.2 7.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 173.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.45 -8.39 79.93 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.79 152.01 43.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.87 152.36 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 111.057 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB2' HG12 ' A' ' 43' ' ' VAL . 54.6 p90 -144.77 158.32 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 174.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -149.83 152.15 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -142.23 130.88 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -113.16 126.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.9 ttp -115.32 129.9 56.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -130.06 148.0 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.2 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.03 -39.03 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.08 -0.06 56.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.09 21.09 76.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -82.22 -24.99 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.982 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -158.14 163.99 37.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.877 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.06 40.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.47 140.28 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.7 120.96 43.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.52 137.64 49.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.49 144.93 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.26 171.07 35.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.9 m -134.97 142.0 46.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -77.51 143.01 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.7 p -113.4 -25.02 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.15 135.52 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -140.96 122.44 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -132.65 101.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 50.85 33.33 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 165.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 78.5 m-20 56.34 20.75 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -114.79 -36.14 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -130.27 119.15 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 171.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.428 ' HB ' HG13 ' A' ' 90' ' ' VAL . 90.0 mt -137.44 128.91 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -176.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.38 135.21 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -145.02 162.14 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.35 137.32 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.126 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 48.7 p90 -128.39 115.08 17.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.892 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.66 -129.81 27.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -97.63 26.25 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.24 170.34 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -132.38 156.7 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.16 154.96 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.26 132.06 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 79' ' ' ILE . 5.0 p -117.96 134.81 60.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -124.05 146.05 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -116.34 123.35 47.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.19 128.3 56.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -85.42 118.11 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.91 157.71 44.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -63.8 -27.01 67.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.291 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.14 -26.34 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.7 -167.74 39.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.533 -176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -109.6 124.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.137 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.7 m -102.32 128.68 48.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.56 122.35 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.17 127.47 51.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.75 129.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t -123.24 126.89 47.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -144.51 159.33 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.37 135.02 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.67 144.91 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -83.51 124.59 30.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -61.56 -30.03 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.191 -173.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.52 -18.31 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.44 151.31 56.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.978 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -65.86 146.81 84.19 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.35 -42.19 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.1 -45.06 87.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.21 -40.46 94.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.36 -40.41 81.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.48 -47.69 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.44 -34.97 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.59 63.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -70.24 -34.49 72.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.665 0.269 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.37 -40.16 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.53 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.58 -46.15 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.69 -37.0 85.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.05 -37.11 86.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.31 -40.98 98.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -65.12 -43.52 91.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -64.17 -50.12 69.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -64.93 -32.71 74.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -60.09 -47.42 85.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.43 -42.79 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.16 -36.65 78.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.5 p -75.58 -18.9 59.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -109.95 7.2 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.7 tp -152.26 118.2 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.108 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -80.05 141.75 35.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 4.9 mp -107.77 129.38 61.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -166.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -121.09 134.33 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.32 139.97 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -130.53 135.27 47.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -136.08 136.4 40.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.6 m -116.6 129.54 56.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -125.18 133.7 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.3 76.28 9.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -175.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -147.83 157.29 44.05 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.603 0.716 . . . . 0.0 110.979 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.33 144.09 62.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 174.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.48 -35.3 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -39.17 80.45 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.52 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -64.96 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -174.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.468 HG21 ' HB ' ' A' ' 99' ' ' VAL . 67.1 t -63.98 -46.73 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -66.78 -46.79 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.63 -41.69 87.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.93 -12.82 59.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -44.88 -49.78 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -168.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -132.98 88.8 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -123.38 126.76 25.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.53 0.681 . . . . 0.0 111.196 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 C--N 1.34 0.127 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -172.295 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.865 0.364 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -120.01 128.59 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.99 134.03 55.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.117 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.63 129.03 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -130.26 130.8 45.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 170.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.16 135.31 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -96.21 108.01 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 163.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.6 77.23 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -169.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -166.77 155.31 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.51 123.72 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.41 -3.72 66.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.9 161.89 42.35 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.11 145.0 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.061 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -131.92 143.4 50.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.5 t -150.41 131.54 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -133.01 126.07 31.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -113.3 119.73 38.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.2 ttt -111.68 130.01 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -131.72 149.35 52.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.0 145.7 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -51.59 -38.18 53.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.31 -0.97 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.97 19.47 67.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 172.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.3 p -82.97 -26.13 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -155.49 163.6 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.95 173.89 46.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 170.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.94 141.6 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -116.64 115.49 25.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -110.58 125.99 53.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.33 154.99 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.032 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.26 160.55 34.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.4 m -119.77 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.212 167.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -75.96 137.31 40.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -168.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.2 p -112.48 -22.18 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.18 132.61 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.61 122.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -128.92 101.55 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.47 33.57 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 165.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 59.74 18.42 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.77 -40.89 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.7 117.84 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.49 125.43 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -127.16 136.93 52.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.02 164.51 32.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.53 136.74 52.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.46 91.65 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 -117.93 8.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.575 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -97.04 15.19 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.79 174.22 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.1 p -130.87 158.82 39.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.2 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -134.68 131.39 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -173.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.54 127.49 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.61 144.7 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -118.63 132.73 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.7 mt -124.54 136.38 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -91.91 114.52 27.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -101.07 159.76 28.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 0.0 111.136 172.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.7 Cg_endo -62.83 -28.17 75.64 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.19 -28.35 16.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 179.6 -171.43 43.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.524 -176.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' VAL . 95.3 t -101.87 127.68 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.3 m -104.01 125.62 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -114.81 124.71 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -117.54 124.66 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.57 124.25 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.3 t -130.58 132.78 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 50.0 p90 -139.15 156.6 47.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.36 135.97 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.3 139.24 52.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -173.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -80.11 148.1 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -40.07 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.63 -22.32 50.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -113.26 136.74 21.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.09 143.85 72.13 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.625 2.216 . . . . 0.0 112.342 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.07 -45.02 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.61 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.53 -39.64 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -55.22 -48.88 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -69.99 -43.56 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.01 90.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -69.06 -36.24 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 110.933 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.96 -40.96 97.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.49 96.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.2 tp -73.86 -33.07 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.73 -34.47 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.85 -36.42 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -63.03 -39.64 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 172.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.94 -36.1 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.54 -48.19 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.72 -25.15 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -57.54 -56.01 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.1 t -65.91 -41.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.126 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.68 -38.08 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -64.9 -18.72 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -103.13 13.68 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 11' ' ' ALA . 83.4 mt -106.76 135.51 48.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.811 0.339 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -86.97 119.9 27.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -108.38 133.39 53.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.5 m -114.91 132.48 56.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 m -131.28 147.37 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -140.28 145.09 36.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -168.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.0 t -142.34 143.78 32.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 87.0 m -117.13 124.86 50.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.8 t -119.62 132.65 68.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 -174.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.04 70.15 10.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.76 35.06 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.625 0.726 . . . . 0.0 111.125 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.73 144.96 51.68 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 68.1 t -56.86 -47.3 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 -177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.62 -38.11 95.76 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -65.12 -42.26 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 110.882 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 63.9 t -64.8 -43.68 96.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.199 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 41.8 m0 -60.02 -43.75 95.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.921 178.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttp85 -62.08 -47.38 84.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.77 -26.62 67.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 -176.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.405 ' HD2' ' HG1' ' A' ' 21' ' ' THR . 73.9 t80 -65.31 -50.21 66.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.015 -175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 ' HG1' ' HD2' ' A' ' 20' ' ' TYR . 34.7 m -137.86 74.97 1.5 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.0 m -129.96 130.99 23.2 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.582 0.706 . . . . 0.0 111.111 158.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_exo -51.69 -47.66 25.23 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.678 2.252 . . . . 0.0 112.409 -176.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -59.55 -36.01 75.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -72.74 -34.86 67.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.569 HG21 ' HB3' ' A' ' 41' ' ' ALA . 90.5 mt -64.05 -36.88 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.17 177.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -58.36 -30.09 66.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.947 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -83.73 -34.46 24.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -80.01 -9.53 59.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -38.65 98.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 46.24 38.87 5.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 40.69 48.62 2.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.072 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -77.13 147.38 36.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.849 -172.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -100.28 -35.31 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 36' ' ' TRP . 63.3 m-20 -112.18 -39.77 4.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.461 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 34.0 t-105 165.06 135.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -135.39 144.47 46.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 168.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.6 m -87.54 91.18 8.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.3 p -135.27 164.77 26.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 168.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.8 132.12 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.569 ' HB3' HG21 ' A' ' 26' ' ' ILE . . . -129.84 141.18 50.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -177.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.2 m -129.26 126.9 40.09 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 170.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.8 t -130.03 125.1 59.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.067 -171.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -107.2 100.64 10.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.844 165.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.9 tp -84.54 95.46 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -172.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -167.47 157.54 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -58.89 112.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.8 -5.07 69.16 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.22 147.98 19.88 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -177.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.14 156.29 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 0.0 111.101 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.88 154.98 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 172.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.4 t -150.68 140.78 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.87 -179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 t -137.51 121.65 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -108.78 129.89 55.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.826 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 80.1 mtp -119.75 138.03 53.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -129.68 152.96 48.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.29 150.61 48.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 174.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -55.74 -36.13 66.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 -177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -89.11 -0.63 57.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.56 21.68 77.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.483 172.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.0 p -83.59 -21.35 32.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.854 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -156.57 163.48 39.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.886 -175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.69 172.64 44.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.464 173.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -146.14 154.97 42.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.89 -175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -118.5 121.65 40.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -108.81 123.84 49.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.42 148.39 52.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.92 175.09 35.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.5 m -130.07 138.19 50.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.814 0.34 . . . . 0.0 111.126 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -81.62 136.29 35.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.984 -178.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 64.0 p -111.6 -23.43 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -153.63 133.28 12.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -139.64 124.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.5 t -133.99 100.94 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 50.38 36.36 12.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 165.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 58.47 22.15 9.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.857 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -121.4 -33.91 3.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -174.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -128.95 117.77 21.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.2 mt -136.66 111.1 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.128 -173.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.95 139.24 52.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -150.02 165.17 33.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.76 135.85 53.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.02 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -124.04 95.67 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.13 -119.24 13.97 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.484 -176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -91.14 1.94 56.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 175.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 77.0 mtm180 -112.92 166.71 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -175.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 63.3 p -131.29 158.92 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.78 151.41 35.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.108 176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -133.84 129.9 37.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.92 131.61 64.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.126 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -125.27 143.64 50.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -115.49 127.25 55.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 50.0 tp -117.98 129.39 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -86.37 117.76 25.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.79 156.24 42.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.603 0.715 . . . . 0.0 111.102 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -63.6 -26.7 69.27 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.634 2.223 . . . . 0.0 112.351 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -91.94 -27.21 18.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.508 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.04 -169.95 42.47 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.2 t -106.26 123.46 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.958 0.409 . . . . 0.0 111.095 178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 63.4 m -104.0 129.92 51.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.195 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.29 122.26 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -119.2 128.89 54.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 -175.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.94 125.56 72.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.9 t -117.42 124.41 48.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -141.18 156.42 45.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.415 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.0 t -80.65 136.88 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.129 177.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.33 147.03 42.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.086 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 15.7 tp10 -89.68 129.53 36.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.8 p -65.15 -22.26 66.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 97.6 mt-10 -79.8 -16.0 56.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -125.17 146.13 52.87 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.758 0.79 . . . . 0.0 110.9 -175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.08 142.91 85.42 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.716 2.277 . . . . 0.0 112.36 178.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.4 -43.78 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.099 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.29 -42.2 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -66.04 -38.23 87.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.98 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -65.51 -43.87 88.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -60.08 -46.61 88.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.84 -42.24 90.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -176.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.51 -45.51 94.62 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.473 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -71.99 -35.64 69.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.696 0.284 . . . . 0.0 110.907 -178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -62.15 -39.17 91.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.886 172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.53 -35.28 78.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.76 -47.27 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.7 mt -65.11 -38.14 89.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.23 -36.72 85.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -65.38 -39.95 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.1 -42.15 97.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -60.43 -46.22 90.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 177.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.27 -36.08 82.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -62.61 -46.12 89.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 178.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 79.5 t -64.82 -39.87 87.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -54.7 -39.02 67.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -72.16 -16.54 61.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -92.9 -3.66 54.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.7 mt -101.96 -37.11 8.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 56.09 39.14 30.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.949 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -165.03 114.94 1.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -178.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.7 mmm . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -85.24 118.36 24.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.5 mt -103.46 127.7 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 89.6 m -119.37 133.82 55.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -177.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.5 m -132.75 151.42 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -143.44 143.73 31.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 -167.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 151.18 38.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.196 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.7 m -125.28 130.1 51.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.74 142.83 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -91.25 70.02 6.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.08 -177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.2 154.18 36.04 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.604 0.716 . . . . 0.0 111.15 -178.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -54.14 144.38 58.92 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.29 -36.44 63.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.131 -176.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.93 -46.32 94.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.511 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -67.9 -42.19 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.55 -49.85 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.557 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.4 m0 -66.75 -44.08 82.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.914 -173.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.09 -42.53 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -26.54 61.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -60.27 -43.91 95.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.958 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.3 m -125.05 74.93 1.4 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.7 m -133.42 128.54 20.25 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.6 0.714 . . . . 0.0 111.103 161.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.65 -49.15 18.28 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.71 2.273 . . . . 0.0 112.3 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.72 -40.49 95.25 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -63.51 -35.25 79.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.9 mt -67.61 -39.68 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.155 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -67.28 -30.37 70.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -75.06 -20.48 59.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' A' ' 30' ' ' ASN . 52.5 m0 -105.02 9.47 34.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 -173.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 29' ' ' TRP . 98.9 m-20 -35.12 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -177.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 32' ' ' ALA . . . 44.77 42.49 6.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.997 171.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 31' ' ' ALA . . . 40.15 50.25 2.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 171.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.3 p -75.82 149.66 37.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.785 -171.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -97.3 -36.73 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.454 ' O ' ' HB2' ' A' ' 36' ' ' TRP . 63.5 m-20 -111.92 -39.14 4.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 178.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 35' ' ' ASP . 38.0 t-105 166.01 136.66 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -136.69 142.51 43.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 168.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.7 m -93.01 95.97 9.8 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 -171.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.9 p -138.08 160.33 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.09 166.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.75 142.28 19.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.87 145.23 46.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 -177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 87.6 m -131.52 126.42 34.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.2 t -131.48 128.31 60.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -170.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.35 100.16 9.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 164.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.9 tp -82.54 96.3 8.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -172.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -166.17 158.96 14.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.99 115.77 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.906 175.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.8 -5.02 83.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.515 -178.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.35 155.3 37.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.405 -174.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.27 151.27 21.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 111.105 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -142.97 154.97 44.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 171.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -150.29 142.9 24.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.889 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.8 t -138.74 126.29 21.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.821 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -111.05 129.8 55.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.778 -179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 79.8 mtp -117.76 136.01 53.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' OE2' ' HA3' ' A' ' 63' ' ' GLY . 44.4 mm-40 -130.07 153.3 48.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.03 149.45 48.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 172.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -55.87 -35.92 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p-10 -88.63 -1.01 57.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.12 20.73 78.18 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.45 172.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -81.48 -19.72 41.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.5 ptp -158.08 161.03 37.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.499 ' HA3' ' OE2' ' A' ' 56' ' ' GLU . . . -171.78 165.76 38.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.419 174.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -137.38 148.7 46.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.95 0.405 . . . . 0.0 110.818 -176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -109.0 122.15 46.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -117.72 120.13 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.9 151.24 50.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.172 -172.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.7 173.05 35.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.535 178.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.3 m -131.54 139.28 49.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 111.13 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -79.25 144.33 34.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.992 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.8 p -115.02 -23.91 8.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.2 136.38 9.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -141.91 124.85 14.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.3 t -134.64 101.2 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.092 -175.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 50.61 33.87 8.81 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.957 166.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.557 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 75.9 m-20 56.78 21.63 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.808 176.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -118.04 -30.58 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -131.89 119.77 21.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.79 170.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 77.2 mt -136.66 110.34 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -117.64 138.78 51.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -178.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -148.5 166.35 28.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -175.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.25 132.1 56.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.026 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -118.89 97.44 5.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.943 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.31 -121.34 20.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.529 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -97.06 20.33 11.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -132.32 172.74 12.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 176.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.8 p -133.68 158.4 43.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.228 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -147.67 153.48 39.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -134.84 130.09 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.14 130.16 65.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.084 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -124.01 144.86 49.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -117.23 127.1 53.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.2 tp -115.06 128.05 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.91 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.6 116.8 25.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -112.38 157.49 39.93 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.563 0.697 . . . . 0.0 111.094 177.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -63.65 -27.53 69.02 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.324 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -92.25 -26.05 18.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.59 -169.97 42.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 -177.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.9 t -109.17 125.6 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.99 0.424 . . . . 0.0 111.092 178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.1 m -102.56 130.5 49.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.133 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.8 t -111.74 122.27 65.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -117.99 128.02 54.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -121.96 124.8 72.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.1 t -126.91 129.99 49.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -141.43 159.65 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -171.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.8 t -84.71 132.28 32.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 177.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.11 142.68 58.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.103 -175.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.8 tt0 -95.19 127.7 41.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 173.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -63.46 -19.13 64.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.106 -170.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 73.8 mm-40 -77.43 -15.99 59.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -175.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -127.89 141.28 40.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.683 0.754 . . . . 0.0 110.891 -178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.11 139.51 80.33 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.71 -45.05 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.01 -42.81 99.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.83 -35.83 79.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -176.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -68.2 -41.55 81.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.52 -47.34 85.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.93 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.44 -41.45 93.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.84 -47.6 81.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.477 -177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -67.14 -37.57 84.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.708 0.289 . . . . 0.0 110.897 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.06 -39.32 93.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.9 174.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.32 -34.95 78.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.14 178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.3 mt -64.86 -45.1 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 54.2 mt -65.55 -36.24 83.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 174.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -64.11 -38.19 90.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -64.79 -42.0 95.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.809 175.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.07 -43.52 87.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -57.99 -45.37 86.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -63.23 -35.88 81.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 178.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -66.9 -41.96 86.3 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.796 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.72 -42.17 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.073 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.05 -34.21 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.9 p -77.8 -24.11 48.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -100.58 -4.61 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.838 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 tp -97.5 -38.59 9.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.02 43.22 17.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.913 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -165.1 114.52 1.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.823 178.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.831 176.107 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.5 mtp . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.872 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -106.46 119.31 38.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -119.17 136.48 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 -176.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.6 m -127.31 140.61 52.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.154 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.98 149.31 32.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.071 174.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -129.48 140.46 51.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -170.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.1 t -144.53 150.89 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.161 170.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.8 m -125.65 130.08 50.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -129.37 149.6 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.14 67.67 8.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.048 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.29 145.79 19.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.677 0.751 . . . . 0.0 111.044 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.31 143.83 63.33 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.763 2.308 . . . . 0.0 112.327 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -54.74 -45.94 73.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 -176.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.45 -42.61 99.81 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.441 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -70.5 -40.77 73.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.894 0.378 . . . . 0.0 110.946 -178.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.78 -48.0 90.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.115 177.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -60.59 -43.57 97.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -58.61 -43.86 89.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.03 -22.69 33.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -51.46 -54.18 29.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -169.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -127.83 78.34 1.82 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.082 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.4 p -124.23 153.42 68.49 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.637 0.732 . . . . 0.0 111.108 161.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.585 ' HD3' ' HB ' ' A' ' 43' ' ' VAL . 21.5 Cg_endo -61.4 -40.92 44.87 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.635 2.223 . . . . 0.0 112.383 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.17 -44.66 94.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -75.97 -42.21 49.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.818 -177.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 30' ' ' ASN . 79.2 mt -67.24 -43.45 88.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.139 -176.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 pttt -64.43 -26.71 68.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 -175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -90.11 -31.56 17.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.937 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 50.9 m0 -90.14 -9.65 47.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 -174.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' ' 26' ' ' ILE . 1.2 t-20 -76.21 -171.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 178.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.93 -25.55 43.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.18 112.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 174.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 93.5 p -164.99 -167.14 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 -167.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -61.25 -9.32 4.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.897 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -83.4 10.51 8.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 175.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 59.76 40.59 19.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -93.24 138.27 31.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 87.4 m -94.98 115.0 26.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.13 -175.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.5 m -124.77 135.13 52.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 172.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.37 129.14 20.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.062 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -132.16 153.02 50.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -173.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -136.82 130.15 31.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.049 169.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.585 ' HB ' ' HD3' ' A' ' 23' ' ' PRO . 82.9 t -129.83 129.77 66.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.131 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -104.56 110.66 23.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 164.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 45' ' ' LEU . 43.8 mt -85.44 85.91 7.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.9 ptt85 -160.32 156.86 26.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.14 118.4 6.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 171.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.39 -8.57 78.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.531 -174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.05 152.18 45.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.546 -177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.04 152.0 20.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.824 0.345 . . . . 0.0 111.094 -177.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -147.97 157.1 43.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 173.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.3 p -151.57 151.75 31.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 -177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.5 t -139.86 127.35 21.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -110.48 130.02 55.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 74.7 mtm -121.28 132.62 54.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 47.7 mm-40 -130.1 143.37 50.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 148.41 51.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.075 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -56.84 -35.6 69.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -87.11 -2.61 58.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.54 20.02 79.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.525 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.2 p -86.74 -21.53 26.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.866 0.365 . . . . 0.0 110.871 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -159.88 164.39 33.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.895 -172.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.56 171.43 44.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.514 174.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -133.63 148.82 51.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.896 0.379 . . . . 0.0 110.876 -175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -108.94 128.69 55.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -113.21 133.26 55.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 174.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.55 147.67 52.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.03 165.84 33.33 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.432 174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -136.44 148.97 48.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.769 0.318 . . . . 0.0 111.119 178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -81.61 143.47 31.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.4 p -114.47 -27.76 7.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -151.38 136.25 17.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.5 t -141.43 125.9 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 172.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.8 t -133.78 102.92 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 51.83 30.19 6.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 162.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 62.39 14.76 7.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.847 175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -110.11 -40.02 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.927 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -133.38 120.43 20.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 46.4 pt -138.87 147.12 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.139 -176.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -140.6 140.82 35.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -144.73 162.65 36.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -122.74 143.56 49.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.153 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 50.0 p90 -136.89 103.36 5.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.931 -178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.57 -128.05 29.43 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.569 -175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -97.47 21.15 10.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.806 0.336 . . . . 0.0 110.87 -177.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -134.88 170.93 15.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 71.4 p -135.04 158.43 44.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -145.69 151.29 37.78 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.117 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -136.54 132.28 35.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.932 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 103' ' ' VAL . 61.8 t -115.63 130.69 69.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.116 -177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -123.72 142.16 51.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -116.84 122.79 45.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.0 tp -110.91 122.88 48.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.999 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -87.19 119.58 27.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.58 158.13 46.0 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.545 0.688 . . . . 0.0 111.146 176.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.7 Cg_endo -63.67 -25.69 68.9 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 177.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.1 -23.89 16.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.61 -173.37 46.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.549 -177.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.1 128.69 73.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 55.4 m -101.62 130.23 47.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.107 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.5 t -112.88 122.04 66.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -117.73 127.46 53.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 -175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.416 HG22 HG22 ' A' ' 90' ' ' VAL . 60.7 t -118.74 121.98 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 178.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.7 t -124.26 129.75 51.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 37.6 p90 -141.39 158.85 43.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -174.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.4 t -83.41 131.15 34.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.59 148.13 48.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -92.81 160.62 14.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 72.2 p -82.1 -25.45 34.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -85.36 -16.38 40.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -127.5 120.93 22.16 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.7 0.762 . . . . 0.0 110.971 -176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.32 142.9 67.41 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.662 2.241 . . . . 0.0 112.324 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 76.0 t -55.85 -42.43 70.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.05 -44.39 97.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -68.77 -35.65 77.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -71.71 -35.57 70.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -58.08 -47.21 83.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 173.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.62 -42.5 95.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.96 -48.4 71.73 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -71.02 -40.14 71.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.68 0.276 . . . . 0.0 110.886 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -63.88 -39.89 95.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.901 175.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.12 -36.05 80.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.068 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -46.41 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.177 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 65.2 mt -67.36 -38.99 85.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.92 177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -64.05 -39.43 94.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -63.51 -43.83 96.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.774 173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.79 -42.54 93.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -58.72 -48.21 81.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.24 -33.61 76.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -69.65 -42.17 74.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.0 -40.19 80.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 172.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.75 -32.73 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -85.23 -23.18 28.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 -176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -99.99 -12.34 19.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.0 tp -148.98 126.89 11.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -47.71 111.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -176.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -161.7 113.5 1.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 176.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.032 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -107.18 119.19 38.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.9 tt -117.97 135.51 58.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 83.4 m -125.86 140.42 52.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.153 -176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.3 m -129.14 150.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 174.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -128.18 140.03 52.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -170.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.2 t -142.72 150.15 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 170.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 91.2 m -124.74 127.56 47.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.1 m -127.75 149.9 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -177.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.24 68.67 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.96 147.42 22.36 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.504 0.668 . . . . 0.0 111.137 176.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -55.12 144.54 69.15 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.289 -177.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 75.5 t -57.53 -47.81 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -174.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -41.86 99.69 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -66.44 -40.49 89.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.925 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 65.4 t -67.93 -43.86 85.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.1 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -59.27 -44.78 92.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.99 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -65.16 -41.76 94.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.98 -22.44 55.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.087 -177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -46.89 -48.26 21.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -173.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -128.83 79.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.06 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 19.1 p -124.56 147.9 57.1 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.602 0.715 . . . . 0.0 111.148 161.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.494 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 21.0 Cg_endo -58.35 -36.13 97.94 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.737 2.291 . . . . 0.0 112.343 175.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.8 -44.3 90.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 175.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.34 -38.45 35.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.4 -40.88 90.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.222 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -63.81 -15.34 58.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.947 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -98.97 -38.79 8.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -83.55 -23.02 32.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 -173.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -76.37 179.34 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.42 -28.66 5.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' HB2' ' OG1' ' A' ' 39' ' ' THR . . . -47.9 112.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 177.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.3 p -165.08 -167.46 1.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.814 -166.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.7 -8.36 4.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.873 172.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -79.83 5.6 13.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.864 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.3 m95 62.95 30.58 16.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 171.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 65.4 m170 -86.62 141.57 28.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.987 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 91.8 m -94.99 118.77 32.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.131 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 ' OG1' ' HB2' ' A' ' 32' ' ' ALA . 98.9 m -125.48 132.5 52.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 174.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.71 130.89 20.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.162 173.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -135.23 150.58 50.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 -170.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.0 m -132.57 131.02 41.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.092 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -133.05 129.59 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.057 -169.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -106.58 108.39 19.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 164.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.6 mt -85.16 88.77 7.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -172.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.8 ptt85 -163.14 157.59 20.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 176.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.1 118.79 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.79 -11.23 72.69 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -175.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.74 153.88 44.58 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.68 153.29 20.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.881 0.372 . . . . 0.0 111.017 -176.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -143.84 155.05 43.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 173.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -150.07 144.14 25.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -175.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -138.96 130.06 26.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -112.64 131.47 55.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.3 ttp -122.3 134.11 54.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -133.06 147.64 52.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.825 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.91 150.73 45.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.119 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -56.21 -35.92 67.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.35 -2.29 58.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -177.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.69 19.5 79.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.48 171.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.3 p -85.06 -20.51 30.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.861 0.363 . . . . 0.0 110.878 -175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.9 ptp -156.98 160.08 38.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 -174.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.71 164.32 37.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 173.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -132.38 141.68 48.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.831 -176.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -104.81 119.36 38.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.861 177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -111.27 138.63 47.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.53 148.64 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.4 166.16 32.62 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.445 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.3 m -134.71 141.57 46.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.773 0.32 . . . . 0.0 111.137 -179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -81.11 140.87 34.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.4 p -116.25 -29.93 6.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 -176.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -151.3 135.18 16.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -175.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.7 t -138.88 124.98 23.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -129.23 101.11 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -176.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.86 31.89 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 160.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 61.25 18.36 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -109.78 -45.85 3.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.17 141.36 51.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 79' ' ' ILE . 19.4 tt -147.54 126.42 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -121.92 139.98 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -150.77 165.05 34.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.969 -176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.14 132.45 56.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.094 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -122.15 98.53 5.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.79 -124.77 29.45 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.541 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.4 p-10 -95.2 18.62 11.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.725 0.298 . . . . 0.0 110.861 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.93 174.19 10.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.6 p -133.03 156.56 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -142.91 148.02 36.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -137.21 130.06 30.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.7 t -120.0 134.49 63.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.154 -172.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -122.23 139.88 53.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -116.11 120.55 39.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.839 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 71.5 mt -112.91 125.64 54.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.996 -175.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -84.65 122.69 29.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.798 177.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -117.91 158.17 46.53 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.535 0.683 . . . . 0.0 111.109 173.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.419 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.0 Cg_endo -64.31 -25.26 64.33 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.358 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -96.65 -21.71 17.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.994 -177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 175.7 -172.04 45.08 Favored Glycine 0 C--N 1.33 0.241 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.534 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 72.3 t -116.33 128.15 73.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 111.048 177.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 58.7 m -101.12 130.53 47.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 -176.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 61.2 t -114.94 121.66 67.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -118.01 123.95 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 -175.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.4 t -116.98 121.85 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.073 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.4 t -123.54 127.92 49.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -143.31 160.13 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -172.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.4 t -81.89 130.95 34.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.64 142.72 57.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.463 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 88.5 tt0 -96.73 131.14 43.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 177.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 66.9 p -65.53 -20.73 66.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.158 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.463 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 96.6 mt-10 -78.7 -18.26 54.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -176.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -128.52 138.88 34.04 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.689 0.757 . . . . 0.0 110.883 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.2 141.55 80.2 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.604 2.203 . . . . 0.0 112.357 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 75.1 t -58.28 -43.32 85.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.76 -38.11 89.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.12 -39.83 93.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.973 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -73.21 -35.05 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 178.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.15 -49.25 76.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.13 -41.42 86.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.11 -47.69 78.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -70.8 -39.0 73.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.685 0.279 . . . . 0.0 110.982 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.94 -40.95 99.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 174.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.88 -36.93 84.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.023 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.79 -48.31 87.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.165 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.18 -34.96 79.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.978 177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.23 -34.74 78.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -58.53 -40.2 82.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 127' ' ' PHE . 1.5 m-30 -55.74 -51.27 67.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.35 -42.91 99.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.17 -35.22 73.16 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -76.76 -38.08 54.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.853 178.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 46.3 t -58.48 -46.42 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.06 -31.3 72.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.7 p -79.37 -24.76 42.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -107.67 -8.01 16.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.851 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.7 tt -143.33 115.78 8.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -49.8 109.98 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -175.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -165.11 114.88 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.816 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 178.492 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.2 mmm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -108.34 122.51 47.13 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.814 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.4 mt -108.52 128.77 63.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.3 m -120.89 131.25 54.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.126 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.67 142.63 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.175 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -135.62 140.64 44.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -147.89 132.24 17.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.8 m -98.38 128.49 44.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.18 173.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.52 -16.08 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.128 -171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.906 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 59.26 58.23 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.17 175.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.05 162.77 46.41 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.557 0.694 . . . . 0.0 111.149 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.02 141.24 79.57 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.656 2.237 . . . . 0.0 112.288 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.9 t -61.66 -49.79 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.03 -41.35 99.89 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.481 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.84 -41.77 95.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.843 0.354 . . . . 0.0 110.873 -176.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.4 t -69.11 -45.39 79.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 40.2 m0 -66.22 -41.37 90.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -177.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.95 -33.29 75.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -20.52 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.471 ' CD2' HG23 ' A' ' 21' ' ' THR . 39.9 t80 -56.34 -47.19 79.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -175.031 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 HG23 ' CD2' ' A' ' 20' ' ' TYR . 45.3 p -129.47 72.18 1.46 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 177.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.9 m -122.03 126.47 26.3 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.562 0.696 . . . . 0.0 111.136 158.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.96 -39.47 40.38 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.699 2.266 . . . . 0.0 112.347 -174.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.53 -34.97 79.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -71.44 -39.74 70.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.839 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.3 mt -59.48 -35.23 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.96 -16.48 61.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.96 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -76.24 -23.51 54.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -175.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -101.54 -14.22 17.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -116.39 176.16 5.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.854 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 64.0 24.71 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.101 -176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -127.02 25.63 6.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.07 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.5 p -77.75 157.41 30.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.809 -174.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -71.13 -16.11 62.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.926 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -91.42 8.27 37.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.5 m-90 60.7 54.34 3.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -101.37 145.94 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -108.42 139.84 42.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.165 174.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 86.7 m -122.08 137.43 54.82 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 -170.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.24 132.12 47.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.1 172.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.77 134.63 50.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.103 -173.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.0 m -123.51 129.64 51.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 168.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.4 p -133.83 130.97 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -171.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -122.19 105.02 9.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 166.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -81.88 99.21 8.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -169.34 160.23 9.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.07 110.25 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 171.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.45 -0.59 65.83 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.421 -176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.26 149.89 34.59 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.448 -175.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.06 147.17 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 -174.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -131.83 141.92 49.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 168.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.3 t -144.05 139.5 28.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.1 t -135.42 121.41 19.94 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.839 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -111.74 128.18 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.879 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 89.7 mtp -114.37 134.28 55.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -131.63 144.06 50.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB3' ' H ' ' A' ' 62' ' ' MET . . . -77.47 143.92 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 -179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -54.28 -34.6 61.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 174.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.5 p30 -90.36 -0.43 57.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 72.52 13.44 77.64 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.486 171.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.3 m -94.22 -31.73 13.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.403 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 71.4 mtm -125.21 168.55 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -170.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.96 166.08 31.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.566 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -140.02 141.9 36.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.912 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -112.99 106.7 15.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -110.27 134.34 52.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.41 144.88 34.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.003 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.81 167.73 33.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.563 173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 87.4 m -133.31 137.79 46.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 111.156 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -81.79 134.15 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.937 177.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.0 p -109.57 -23.06 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 -173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -158.63 135.22 9.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 62.5 t -138.06 127.11 32.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.148 177.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -127.5 99.83 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 50.71 36.68 14.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 165.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 76.1 m-20 57.56 24.5 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.942 175.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -120.73 -39.87 2.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.844 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -130.49 112.24 13.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.92 125.1 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.03 134.36 55.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 175.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -151.4 168.32 25.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -173.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.28 133.71 55.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -126.0 107.55 10.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -173.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.65 -124.25 33.99 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.498 -173.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -93.29 4.42 54.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 0.0 110.957 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -108.11 166.68 10.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 152.32 49.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 170.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -151.1 151.36 31.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 -176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -135.09 130.05 34.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.78 127.8 68.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.31 146.01 49.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -117.07 131.64 56.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 56.3 tp -114.65 125.34 53.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -75.87 119.69 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -110.38 159.06 33.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.145 175.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.2 Cg_endo -63.48 -25.37 70.37 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.689 2.259 . . . . 0.0 112.294 178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -99.44 -31.0 11.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.906 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . -177.02 -156.37 15.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.426 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 99.1 t -105.32 131.22 55.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.96 0.41 . . . . 0.0 111.162 177.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 86.2 m -99.07 123.33 43.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 170.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.7 t -106.94 122.33 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 -175.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -119.1 124.0 45.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.73 126.13 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 -179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 t -125.6 130.05 50.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.816 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -144.22 161.23 39.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 -172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.2 t -92.91 135.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 178.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -97.88 97.63 9.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -50.76 161.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.902 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.8 p -75.8 -17.63 59.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.198 -175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -63.89 -30.56 71.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -172.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -126.22 142.06 41.6 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.804 0.811 . . . . 0.0 110.816 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -54.89 141.52 77.55 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.693 2.262 . . . . 0.0 112.376 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.0 t -56.71 -45.66 82.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.0 -43.44 98.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -66.69 -38.15 86.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.896 -175.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -70.68 -38.7 73.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.38 -46.05 89.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -65.41 -35.11 79.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.42 77.01 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.495 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -68.73 -33.71 74.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.795 0.331 . . . . 0.0 111.009 179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -61.26 -43.69 98.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 173.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.67 -36.53 84.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.69 -47.84 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.076 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.42 -33.79 73.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.23 -43.3 98.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.943 174.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.94 -38.42 90.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 175.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -58.07 -45.89 86.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.939 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.65 -43.86 98.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 175.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.54 -35.1 79.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -67.7 -42.04 82.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 176.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.11 -42.93 84.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.209 173.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.47 -36.03 82.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.905 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.8 p -78.34 -22.65 47.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 -176.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -105.05 -4.24 22.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.83 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.5 tp -146.65 114.97 6.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 51.91 56.92 7.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.74 131.03 49.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 175.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.887 -177.675 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.808 0.337 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.48 122.15 39.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -112.61 130.49 66.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.7 m -119.43 132.38 55.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.5 t -129.26 140.04 50.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -130.07 137.43 50.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -173.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.9 t -148.47 134.39 19.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.092 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.7 m -101.24 125.69 47.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.1 m -105.97 -15.16 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -172.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HA ' ' HA3' ' A' ' 98' ' ' GLY . . . 60.33 56.21 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 174.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 12' ' ' PRO . . . -143.85 162.2 42.28 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 111.094 -177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 36.9 Cg_endo -64.61 144.44 84.46 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.701 2.267 . . . . 0.0 112.346 179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.72 -48.41 87.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -168.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.82 -40.83 99.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.475 -176.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -65.22 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.817 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -65.1 -41.46 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.531 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 7.4 m95 -61.64 -41.37 97.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.31 -42.0 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.807 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.73 -26.05 63.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.126 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.535 ' CD2' HG23 ' A' ' 21' ' ' THR . 32.2 t80 -57.43 -40.18 77.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' CD2' ' A' ' 20' ' ' TYR . 60.1 p -130.66 69.26 1.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 175.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.5 m -117.95 126.57 27.2 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 121.567 0.698 . . . . 0.0 111.114 154.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.56 -38.19 53.12 Favored 'Trans proline' 0 N--CA 1.466 -0.138 0 C-N-CA 122.784 2.322 . . . . 0.0 112.287 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.84 -35.88 82.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 176.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -70.96 -36.61 72.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.72 -38.45 81.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.212 178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.21 -17.12 62.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -72.72 -33.35 66.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -171.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 4.5 p90 -109.92 -18.23 13.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -88.79 177.79 6.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 57.97 29.83 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 -173.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -125.07 26.54 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.076 -176.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.2 p -75.91 157.23 33.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -72.56 -17.2 61.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -86.17 5.07 35.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.9 m-90 60.07 59.39 2.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 176.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 50.0 m170 -105.4 144.01 32.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.9 m -101.27 140.82 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.4 m -123.91 132.03 53.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 -169.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.13 133.23 54.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 171.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.08 134.47 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.106 -174.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.4 m -128.97 127.8 42.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.102 166.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.19 132.86 49.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -169.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -117.99 110.22 17.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 165.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -81.51 99.74 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.5 ptt85 -170.08 158.39 6.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.85 175.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.46 111.27 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.915 171.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.32 -3.59 66.42 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -172.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.18 147.07 38.8 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.434 -174.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.08 147.41 22.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.818 0.342 . . . . 0.0 111.104 -175.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -132.52 143.85 50.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.86 170.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.9 t -140.71 138.21 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.791 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.7 t -131.41 118.94 20.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.88 176.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.7 115.02 29.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -119.21 126.24 51.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.61 148.78 42.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -178.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.83 143.92 50.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -53.48 -34.96 59.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -90.1 -0.06 57.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.855 -176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.24 21.54 75.8 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.0 p -85.29 -29.02 24.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.93 0.395 . . . . 0.0 110.87 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -158.9 164.88 35.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -173.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.12 169.0 40.63 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 171.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -131.83 142.83 49.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 110.911 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -106.37 117.9 35.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.23 138.92 43.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -139.83 146.86 39.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.038 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.74 163.94 30.57 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.434 177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.2 m -137.46 140.15 41.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.729 0.299 . . . . 0.0 111.19 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 56.0 m-85 -79.68 137.72 37.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.1 p -113.53 -29.12 7.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -172.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -151.67 133.94 15.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -177.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -136.75 126.32 38.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.13 173.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.7 t -124.69 101.5 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.76 33.48 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 161.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.97 30.7 16.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -118.28 -48.96 2.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -132.07 126.58 34.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.16 129.7 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.1 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.8 137.0 55.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.422 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 52.5 p90 -150.3 167.55 26.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 -174.214 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.83 135.63 54.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.136 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -125.05 101.69 7.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.809 -172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.02 -124.07 27.54 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -173.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -91.46 -2.22 57.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.93 0.395 . . . . 0.0 110.904 173.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.2 mtm105 -104.51 169.2 8.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -178.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -129.99 154.85 46.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 174.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -153.05 152.2 31.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.1 tttt -135.79 129.83 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.854 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 103' ' ' VAL . 91.1 t -111.85 128.04 68.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 -178.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -128.27 141.64 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 -109.73 129.73 55.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 -178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 61.2 tp -108.94 118.24 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 168.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -74.44 119.6 18.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.932 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.67 162.75 18.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.517 0.675 . . . . 0.0 111.137 176.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 35.4 Cg_endo -62.17 -24.69 76.5 Favored 'Trans proline' 0 C--O 1.23 0.103 0 C-N-CA 122.719 2.279 . . . . 0.0 112.298 177.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -98.61 -34.92 10.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.731 ' HA3' ' HA ' ' A' ' 10' ' ' ALA . . . 179.55 -159.41 23.97 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.518 -178.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 77.5 t -90.41 131.03 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 111.14 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -98.54 123.44 42.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 165.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 99.3 t -106.17 122.22 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 -172.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -118.82 122.46 42.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.458 HG22 HG22 ' A' ' 90' ' ' VAL . 61.3 t -124.43 126.55 72.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 -177.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 42.3 t -120.25 130.03 54.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.895 177.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -141.58 155.1 45.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.946 -171.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.2 t -97.83 140.53 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -100.65 90.71 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -45.81 153.11 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 174.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.2 p -65.31 -21.88 66.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -78.94 -21.2 47.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -111.36 112.62 54.47 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.664 0.745 . . . . 0.0 111.019 178.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -53.92 142.6 63.68 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.348 -177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.65 -44.01 80.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.124 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.35 -42.17 98.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.952 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -66.83 -39.95 87.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -71.78 -42.11 67.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.855 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -56.97 -50.24 73.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.935 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -71.12 -40.05 71.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -177.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.22 -49.31 62.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -175.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -69.35 -36.68 77.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.681 0.276 . . . . 0.0 110.936 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -63.65 -40.42 96.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.8 -36.02 82.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 93.3 mt -65.12 -45.26 94.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.074 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.94 -37.55 84.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 178.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.2 -41.36 94.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -65.13 -41.34 94.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.908 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.61 -44.73 90.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.09 -46.2 85.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 176.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.88 -34.52 78.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -71.19 -39.71 71.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.792 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.33 -41.95 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 172.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.77 -39.41 91.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.937 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -76.63 -19.79 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -99.63 -5.28 29.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 67.3 tp -148.69 112.53 5.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 45.43 60.41 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -58.86 130.01 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -177.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -109.83 129.95 55.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 94.8 mt -112.34 130.43 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.101 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.8 m -127.96 130.95 49.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.153 -175.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -134.99 142.82 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -122.76 144.04 49.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.89 -175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 73.7 p -140.19 141.52 35.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.0 m -120.09 129.12 54.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.1 -174.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.8 m -129.18 149.39 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' HB3' HD13 ' A' ' 135' ' ' LEU . . . -85.65 60.17 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.043 175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.667 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -140.08 147.76 51.92 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.56 0.695 . . . . 0.0 111.115 -178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -64.09 142.86 82.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.747 2.298 . . . . 0.0 112.323 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.08 -42.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.079 -173.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.25 -41.9 71.95 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.509 178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -68.59 -40.23 80.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.25 -55.68 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -170.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 21.8 p-90 -65.33 -34.2 77.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.913 -173.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -63.23 -43.65 97.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.881 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.6 -21.74 60.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -45.4 -45.42 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.897 -173.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.0 m -135.76 84.82 2.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.2 p -123.48 144.19 43.45 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.488 0.661 . . . . 0.0 111.153 161.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -61.55 -36.95 73.68 Favored 'Trans proline' 0 C--O 1.23 0.112 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 177.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -57.98 -43.62 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 175.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -69.23 -41.22 77.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 176.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.87 -31.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 -175.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -47.03 -36.71 8.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 173.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -89.84 -6.25 56.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -102.03 36.31 2.13 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -173.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -118.24 122.46 43.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -167.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.06 -19.51 64.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.065 167.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.59 178.42 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.148 173.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.0 p -70.47 157.02 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.914 -176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -83.09 -5.17 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -112.27 -42.02 3.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.892 -167.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 58' ' ' LYS . 98.8 m95 -116.6 39.63 3.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -172.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -133.19 127.4 33.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 174.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.8 m -109.03 133.56 52.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.234 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.7 m -120.65 135.55 55.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.102 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.67 140.99 27.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.087 169.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.29 33.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -134.59 129.32 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 173.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 76.8 t -128.47 129.26 68.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.125 -172.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -112.12 102.0 10.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.846 166.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.3 tp -82.55 101.61 10.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.955 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 49.2 ptt85 -168.92 159.51 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.9 111.62 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 174.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.64 -9.0 78.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 -176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.7 149.85 40.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.83 154.27 18.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.33 . . . . 0.0 111.097 -173.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -142.76 154.94 44.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 169.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -149.9 146.63 27.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.831 -176.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -132.75 122.88 25.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.895 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -106.24 127.45 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.873 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.5 mtt -116.53 126.45 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.82 176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -128.51 144.44 51.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.923 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.12 123.65 24.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 171.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 36' ' ' TRP . 87.9 tttt -50.29 -32.47 17.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 174.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.8 p30 -84.06 -1.94 55.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.808 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.51 15.15 81.41 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.525 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.7 p -83.57 -33.16 25.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.886 0.375 . . . . 0.0 110.864 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.0 ptp -158.8 164.15 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.922 -172.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -168.7 163.42 37.16 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -134.23 144.27 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -176.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -111.91 120.72 42.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -112.23 136.27 51.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.59 147.99 43.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -174.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.84 167.7 33.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.51 172.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.9 m -130.85 139.73 50.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 111.132 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -78.85 142.8 36.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.6 p -112.76 -27.51 8.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -157.72 137.35 12.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.965 178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.9 t -140.67 123.19 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.033 177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.7 t -129.47 100.54 5.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.052 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 53.82 30.44 11.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 163.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 58.25 22.63 9.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -109.85 -40.17 4.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -135.53 125.12 25.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 91.1 mt -137.52 124.89 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.167 -173.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -124.14 136.95 54.57 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 50.4 p90 -149.76 164.99 33.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.951 -174.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -120.49 135.46 55.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -125.06 100.42 6.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.25 -121.35 13.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -98.41 15.23 25.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.905 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 72.5 mtm180 -128.79 174.35 9.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.2 p -130.0 155.31 46.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.109 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.443 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -150.17 148.6 29.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 67.9 tttt -139.82 133.57 30.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.952 -174.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -121.69 135.15 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.131 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -129.16 143.04 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -119.35 120.86 38.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.64 124.62 52.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -89.28 117.57 28.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.775 -178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -111.81 159.79 32.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.569 0.699 . . . . 0.0 111.087 175.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 43.3 Cg_endo -64.44 -25.67 63.2 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.719 2.279 . . . . 0.0 112.372 176.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -97.98 -22.69 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.03 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.496 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.32 -171.51 44.28 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 -176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.89 129.49 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 111.028 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.2 m -104.98 130.72 53.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.163 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.4 t -112.58 127.0 70.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.164 -174.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -113.1 120.07 40.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.7 t -121.94 124.22 70.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.7 t -129.51 131.02 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -136.52 154.68 50.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.785 -176.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.3 t -75.03 130.32 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.92 139.71 52.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 176.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -87.43 127.46 35.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 74.0 p -62.69 -24.8 67.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -172.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -71.35 -14.88 62.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.404 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 97.8 m-85 -126.57 142.66 43.81 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.655 0.741 . . . . 0.0 110.914 -179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 54.3 Cg_exo -55.06 135.98 71.08 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.262 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.32 -42.5 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.15 -177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.95 -42.09 94.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -64.36 -36.69 84.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.903 179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -71.53 -41.73 68.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -59.35 -50.55 73.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -70.75 -39.76 73.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.914 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.14 -51.95 45.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.52 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -65.54 -31.61 72.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.739 0.304 . . . . 0.0 110.943 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -63.66 -45.2 91.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.887 175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.68 -36.71 85.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 176.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.23 -47.77 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -68.54 -31.37 70.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.924 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -63.37 -35.44 80.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.011 171.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.87 -38.8 92.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.816 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.486 ' CD1' ' N ' ' A' ' 127' ' ' PHE . 3.0 m-30 -60.0 -44.59 94.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 174.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -59.93 -51.7 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.78 -34.0 77.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.945 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -61.72 -46.62 88.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.74 176.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.56 -42.62 92.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.101 174.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.51 -34.38 74.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.89 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -72.16 -15.52 61.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.808 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -99.23 6.49 46.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.667 HD21 ' HB2' ' A' ' 11' ' ' ALA . 90.0 mt -94.96 -11.05 29.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 175.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.14 125.73 25.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.01 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -84.34 -62.41 1.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.783 -178.83 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.782 0.325 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -110.15 122.17 47.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 89.2 mt -113.11 128.82 69.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 -177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -127.12 132.94 50.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.0 t -132.58 142.14 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.09 179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -116.38 141.44 48.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.918 -176.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.0 m -135.59 135.96 40.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.4 m -116.32 125.02 51.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.031 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.17 148.56 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.129 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.05 63.46 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.072 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.34 140.88 24.17 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.705 0.764 . . . . 0.0 111.057 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.84 142.24 33.56 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.717 2.278 . . . . 0.0 112.387 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.24 -42.8 37.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -175.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.88 -42.59 69.99 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -70.05 -38.76 75.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 72.4 t -63.77 -54.78 27.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -172.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 14.1 p-90 -67.23 -35.37 79.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.949 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -65.35 -44.93 86.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.01 -17.81 60.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.42 ' CD2' HG23 ' A' ' 21' ' ' THR . 77.6 t80 -46.3 -54.11 9.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.42 HG23 ' CD2' ' A' ' 20' ' ' TYR . 13.5 p -135.14 80.27 1.83 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 177.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -110.04 146.99 35.32 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.568 0.699 . . . . 0.0 111.141 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 81.3 Cg_exo -50.05 -45.72 31.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.624 2.216 . . . . 0.0 112.338 176.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.3 tp10 -57.89 -44.24 86.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.85 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.02 -34.97 64.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.03 -30.14 48.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -46.53 -32.84 3.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 170.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -81.51 -19.9 41.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 25.4 m0 -91.19 27.43 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -176.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -124.5 116.55 22.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -164.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.33 -17.02 61.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HB1' ' CG ' ' A' ' 37' ' ' HIS . . . -69.03 154.63 41.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 82.5 p -78.18 160.28 28.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 -171.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -82.29 -7.3 59.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -111.36 -52.33 2.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.952 -170.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -101.51 11.5 38.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -173.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.416 ' CG ' ' HB1' ' A' ' 32' ' ' ALA . 73.4 m80 -137.08 139.63 41.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 174.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 99.7 m -100.1 129.69 46.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 170.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.8 m -118.41 130.03 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -175.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.42 141.66 28.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 172.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -140.45 152.12 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 -178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 85.6 m -137.78 130.11 29.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 167.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.6 t -127.26 127.35 69.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.198 -174.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -101.71 110.22 22.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.835 167.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -85.8 91.12 8.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -171.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -167.48 156.48 9.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -60.1 117.38 5.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 172.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.1 -10.76 74.13 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.482 -175.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -69.73 149.89 48.67 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.99 153.56 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 111.137 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -145.93 154.99 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.887 170.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -150.4 146.18 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -174.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.2 t -136.85 127.22 26.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 70.5 mtp85 -104.23 129.99 52.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.899 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.0 tmm? -124.81 119.26 28.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 172.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -129.07 144.82 51.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.867 -169.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.68 125.32 26.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.069 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -54.77 -33.33 61.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -83.07 -0.84 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.82 -178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.08 16.26 80.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.412 166.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.9 p -84.8 -30.07 24.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.897 0.379 . . . . 0.0 110.85 -175.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.3 ptp -158.38 164.8 35.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -173.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -164.83 158.93 31.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.405 169.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -132.53 141.37 48.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -111.95 123.03 49.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 176.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -110.26 134.95 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.2 162.97 30.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.529 173.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 62.6 m -139.19 143.42 38.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -79.28 141.12 37.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 68.8 p -114.99 -29.97 6.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -153.7 135.83 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.7 t -140.51 123.8 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 175.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -127.98 98.97 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 -177.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 54.0 30.45 11.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 166.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 58.45 22.87 10.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -110.78 -43.91 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.71 123.3 32.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.5 mt -137.67 124.12 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -121.62 138.81 54.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.25 166.15 30.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 -175.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -119.51 133.23 55.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -125.39 104.1 8.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.96 -126.3 31.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -97.35 19.89 12.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.361 . . . . 0.0 110.898 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -132.87 174.18 10.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 66.7 p -132.38 157.81 43.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 153.8 38.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -142.47 137.21 30.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -178.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.95 137.58 57.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.196 -179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -122.98 143.29 50.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 173.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.86 123.56 47.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.1 tp -116.93 128.05 54.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -82.88 120.22 25.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.521 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -103.53 161.81 21.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.603 0.716 . . . . 0.0 111.071 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.521 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 56.7 Cg_endo -68.92 -29.93 27.16 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.669 2.246 . . . . 0.0 112.326 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -100.78 -10.18 21.02 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.97 -167.08 37.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.405 -176.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.0 t -121.69 131.75 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 111.076 174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.6 m -110.04 138.89 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.196 -175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 7.5 p -123.62 130.58 74.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.16 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -116.09 119.99 37.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.8 t -122.3 128.39 75.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.9 t -122.58 133.83 54.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -118.86 153.41 34.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.5 t -84.51 128.18 39.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.093 160.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.57 152.19 39.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.121 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -79.99 151.94 29.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.9 p -88.4 -24.75 22.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -75.46 -10.55 59.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -128.59 145.99 58.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.729 0.776 . . . . 0.0 110.87 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.02 145.61 74.32 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -53.92 -31.74 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.51 -43.95 92.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.84 -39.42 90.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.926 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -66.37 -48.35 70.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -60.9 -47.7 85.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -175.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.63 -38.59 89.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -49.22 63.9 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -178.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -68.72 -35.27 76.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.659 0.266 . . . . 0.0 110.885 -177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -65.04 -44.0 90.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.89 78.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.056 178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.18 -44.27 91.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.101 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.5 mp -65.64 -32.39 73.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.961 174.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -64.92 -38.59 91.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -59.7 -47.01 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -57.71 -51.87 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.936 179.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.86 -36.48 80.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -63.15 -47.98 80.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.733 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 66.6 t -66.69 -45.1 89.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -58.75 -36.96 75.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -69.35 -17.97 63.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.836 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -99.98 3.27 44.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.3 mt -96.0 -6.06 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 176.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.6 129.58 42.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.855 178.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -95.88 -55.12 3.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.789 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mtp . . . . . 0 CA--C 1.526 0.025 0 CA-C-O 120.794 0.331 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -109.94 128.25 55.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 91.7 mt -112.13 129.01 68.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 87.0 m -125.33 134.54 52.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.072 -175.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.4 t -134.27 142.71 40.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 178.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -121.23 141.68 50.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 -175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 71.0 p -139.09 138.67 37.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -120.52 128.5 53.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 m -127.95 149.04 32.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 -177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.79 64.15 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.14 150.1 57.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.558 0.694 . . . . 0.0 111.087 -177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.39 141.12 73.19 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.248 . . . . 0.0 112.3 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.0 t -52.4 -41.32 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.136 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -53.65 -43.07 68.44 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.427 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.76 -36.24 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.831 0.348 . . . . 0.0 110.961 176.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.58 -55.14 25.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 24.1 p-90 -67.71 -33.69 75.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -177.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -66.65 -43.06 85.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.94 -19.83 61.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 -178.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -48.71 -42.18 34.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 33.0 p -136.69 80.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.149 175.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.2 p -119.78 144.98 38.35 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.563 0.696 . . . . 0.0 111.159 162.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.17 -36.48 80.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.643 2.229 . . . . 0.0 112.386 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.52 -43.77 96.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -69.89 -40.62 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.92 176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.4 mt -62.43 -34.37 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -49.93 -35.91 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -80.72 -22.48 40.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.978 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -88.28 -26.68 22.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -173.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.417 ' OD1' ' N ' ' A' ' 31' ' ' ALA . 47.9 t-20 -73.3 144.26 46.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 170.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.417 ' N ' ' OD1' ' A' ' 30' ' ' ASN . . . -91.17 -1.07 57.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 -175.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.85 155.7 5.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 173.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.2 p -68.88 163.71 23.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -172.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -81.83 2.92 28.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 176.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -105.24 -36.19 7.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -130.12 29.81 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 -58.08 120.03 7.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.866 -175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 40.7 m -124.98 89.53 3.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 177.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.7 m -135.67 140.42 44.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.141 171.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -140.05 131.1 26.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.045 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.36 138.44 47.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.175 -178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.3 m -130.41 129.67 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.176 173.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -130.31 125.72 60.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 -173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -110.93 104.18 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.818 166.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.6 tp -82.84 100.7 10.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.8 ptt85 -167.95 159.73 11.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.17 111.76 1.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.47 -5.09 80.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 -176.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.46 151.0 37.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -175.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 152.42 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.891 0.377 . . . . 0.0 111.01 -173.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -143.19 155.08 44.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 168.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -152.89 146.15 24.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.4 t -141.09 127.7 20.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -109.87 129.93 55.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 178.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.7 mtt -120.13 135.38 54.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -129.18 145.99 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.869 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.13 146.61 54.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.086 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.68 -34.57 65.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.48 -0.8 57.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.805 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.38 77.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.434 171.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.1 p -86.23 -22.01 27.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -159.99 165.15 32.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.927 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.07 170.05 42.58 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.493 174.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -134.95 144.66 47.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -176.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -106.81 120.08 41.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.829 175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -111.3 137.51 48.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.25 147.74 40.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -155.23 168.24 33.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.442 173.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -131.56 139.37 49.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.855 0.359 . . . . 0.0 111.132 -179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -77.27 142.09 39.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.5 p -112.9 -27.03 8.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -157.21 136.24 11.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.8 t -140.26 123.54 17.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.089 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.1 t -129.78 101.02 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 53.38 30.51 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 164.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 58.91 20.57 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.784 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -110.15 -40.02 4.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -130.19 119.85 23.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 177.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.4 mt -135.8 118.46 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -174.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.92 138.66 53.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -149.86 165.05 33.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.922 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.97 133.15 56.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 -177.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -125.08 100.07 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -123.97 27.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -177.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.1 p-10 -96.3 15.44 21.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -134.67 175.03 9.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.791 177.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 60.9 p -131.62 156.07 46.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 -178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.54 150.5 32.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -137.14 135.85 37.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.0 134.33 58.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -125.1 142.69 51.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -118.08 124.16 47.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -176.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 tp -115.06 124.15 50.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -88.31 118.84 28.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.51 158.97 37.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.579 0.704 . . . . 0.0 111.07 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 41.0 Cg_endo -64.4 -25.37 63.61 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.323 177.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -96.81 -24.72 15.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.989 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.45 -171.69 44.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -114.04 127.93 71.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 111.14 176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.1 m -104.44 129.7 52.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.0 t -116.15 124.92 72.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.177 -175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -112.81 121.16 43.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.49 124.05 72.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.114 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 35.1 t -127.61 132.49 49.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -137.58 155.29 49.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.1 t -83.58 132.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.133 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.98 145.75 49.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.078 -173.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.418 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 89.0 tt0 -92.25 129.0 38.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 175.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 67.9 p -66.11 -21.29 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 -171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 74.4 mm-40 -72.79 -12.76 61.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -176.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -128.08 142.18 43.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.709 0.766 . . . . 0.0 110.869 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.99 136.49 73.13 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 0.0 112.298 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 73.7 t -59.66 -42.13 87.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.25 -41.48 96.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -65.51 -37.22 86.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -70.71 -42.55 70.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -61.58 -51.93 66.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -70.32 -39.39 74.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -51.7 48.47 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.469 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -66.02 -33.23 75.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.655 0.264 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -63.75 -45.36 90.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -36.96 86.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 177.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.8 mt -65.45 -46.42 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.2 mp -68.75 -33.7 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.975 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -64.61 -36.87 85.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 174.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -64.63 -40.53 95.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 174.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -60.62 -42.45 96.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 176.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -58.82 -48.35 81.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.911 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.1 -34.87 79.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.829 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -63.54 -39.83 95.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.814 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 65.8 t -65.4 -44.93 94.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 172.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -61.27 -32.38 72.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -174.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -67.48 -20.03 65.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.766 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -101.23 6.06 42.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.9 11.9 35.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 175.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.4 128.94 38.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -84.72 -63.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.764 175.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mtp . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.811 0.338 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -99.6 120.82 40.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 85.8 mt -108.05 130.67 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.159 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -124.84 129.85 51.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.8 t -134.81 141.22 43.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -122.91 145.96 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -176.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.3 t -146.81 140.1 25.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.126 178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -115.44 125.29 52.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 -175.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.2 m -127.34 149.48 32.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 -172.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.99 63.61 6.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.052 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.05 149.0 50.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -65.1 141.3 69.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.727 2.285 . . . . 0.0 112.33 177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 69.8 t -51.8 -40.45 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.128 -171.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.06 -42.75 82.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -74.02 -34.02 63.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.983 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.51 -53.5 46.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.154 -172.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -67.01 -30.87 71.08 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -66.69 -45.32 79.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.3 -18.73 57.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.163 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -45.47 -43.59 11.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.8 m -134.7 87.17 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.132 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 45.9 p -121.29 149.7 52.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.131 163.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 41' ' ' ALA . 48.0 Cg_endo -63.58 -33.19 68.5 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 174.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.26 -45.07 96.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 175.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -69.82 -44.53 69.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.939 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.72 -39.83 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -176.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tmmt? -50.31 -27.94 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -96.89 -18.15 19.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 45.3 m0 -84.06 -24.59 30.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -73.12 155.79 39.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.56 -12.96 60.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.103 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.72 170.71 1.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 76.5 p -69.09 164.66 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -172.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -88.24 -0.66 57.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 173.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -113.22 -40.89 3.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -164.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -125.1 26.25 7.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -174.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -98.65 123.59 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 -178.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.3 m -94.93 111.48 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.206 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.6 m -128.63 131.89 48.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.124 171.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.57 132.78 41.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 176.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB3' ' HD3' ' A' ' 23' ' ' PRO . . . -138.72 138.57 37.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 -178.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -133.89 129.17 36.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 171.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.04 134.99 61.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -174.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -111.01 100.67 9.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.861 166.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.3 tp -80.52 99.66 8.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -171.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -168.88 159.75 9.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -58.78 111.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 173.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.91 -8.5 76.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.55 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -75.05 150.54 41.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.526 -177.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.56 155.4 18.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 111.076 -174.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -143.1 155.03 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 170.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.7 t -152.71 145.29 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 -177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -142.71 129.91 20.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.829 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -105.56 128.65 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 46.3 mtt -119.19 134.76 55.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -128.32 147.09 50.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.937 177.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.77 146.76 54.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 174.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -58.4 -32.93 69.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 -174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.9 p30 -90.25 -1.01 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.89 21.62 76.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.541 172.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 94.3 p -85.37 -20.96 29.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.93 0.395 . . . . 0.0 110.874 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.2 ptm -159.99 165.02 32.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.93 170.82 42.8 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 174.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -136.97 149.95 47.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -175.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -105.62 119.02 38.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 174.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -104.36 132.33 50.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -140.35 141.91 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -178.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.32 170.76 34.53 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 88.7 m -130.57 138.89 50.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.743 0.306 . . . . 0.0 111.154 -178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.6 m-85 -76.05 140.83 42.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 0.0 110.897 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 72.9 p -111.43 -27.67 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.149 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -158.5 136.18 10.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.9 t -139.03 125.39 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.15 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 63.5 t -128.5 99.32 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.02 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.44 32.11 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 164.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 58.73 21.23 8.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.836 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -109.94 -40.1 4.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -131.17 119.98 22.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 86.3 mt -133.22 117.92 30.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.17 137.71 54.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.428 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 38.5 p90 -149.16 163.18 38.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.996 -174.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.81 143.99 49.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 -174.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -137.53 103.7 5.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.47 -119.97 12.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 -174.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.1 p-10 -103.5 8.79 37.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.8 mtm105 -116.4 166.81 11.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 62.6 p -129.95 157.81 41.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -149.98 146.14 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 175.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -138.91 134.13 32.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.97 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.58 133.71 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -124.88 147.23 48.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.82 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -120.06 126.59 51.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.5 tp -112.02 122.16 46.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -86.0 120.33 27.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.845 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -118.34 158.46 46.65 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.56 0.695 . . . . 0.0 111.086 178.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.413 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.0 Cg_endo -63.71 -24.99 68.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 177.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.67 -25.72 15.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.957 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 178.59 -169.57 41.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -176.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.02 128.06 72.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.941 0.401 . . . . 0.0 111.065 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 61.9 m -101.65 130.0 47.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.191 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.63 124.19 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.152 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -113.1 121.67 45.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.811 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.4 t -120.19 125.02 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.156 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -128.01 126.88 42.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 178.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -143.05 159.28 42.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -171.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.3 t -83.62 133.61 28.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.1 174.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.27 141.8 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 -177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -74.12 124.89 27.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 177.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.8 p -66.64 -25.85 66.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -173.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.89 -17.06 62.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -126.74 155.02 75.8 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.713 0.768 . . . . 0.0 110.894 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 139.76 83.98 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.261 177.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.6 t -59.46 -43.98 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.057 177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.32 -38.16 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.12 -39.0 93.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.875 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.23 -39.95 82.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -61.63 -47.26 86.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.98 -36.07 82.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -63.81 -48.97 71.59 Favored Glycine 0 C--N 1.33 0.225 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.455 179.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -66.49 -35.41 80.19 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.689 0.281 . . . . 0.0 110.917 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -63.3 -43.22 98.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 176.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.34 87.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.42 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 85.5 mt -69.87 -34.4 73.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -65.5 -40.8 93.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -67.11 -36.92 82.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 175.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -57.92 -45.64 86.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 172.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -60.54 -44.01 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 176.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.41 -35.01 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -64.5 -43.16 95.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.803 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.3 -43.65 90.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.95 -36.95 85.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.4 p -85.78 -22.77 27.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.772 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -93.26 -13.05 28.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.2 mt -124.77 32.89 5.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -59.37 130.03 44.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 20.8 t-160 -72.64 -67.21 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 175.631 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -108.84 126.75 53.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.797 176.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 82.8 mt -110.95 129.53 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 91.8 m -122.09 131.4 53.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.6 t -133.38 141.36 44.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 178.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -123.98 144.63 49.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -145.77 138.73 25.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 90.5 m -116.61 128.58 55.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -173.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.16 148.7 28.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.59 63.7 8.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.049 175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.77 148.31 52.18 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.645 0.736 . . . . 0.0 111.086 -176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -64.34 140.9 72.5 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.764 2.309 . . . . 0.0 112.322 176.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 67.4 t -52.38 -41.52 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.12 -43.99 73.72 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.448 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.06 -33.81 70.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 0.0 110.918 177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.8 -54.46 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 -171.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 27.7 p-90 -70.73 -30.96 67.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -64.86 -43.87 91.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.859 -179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.31 -18.17 59.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.101 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -53.17 -41.67 65.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -174.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 p -135.65 79.85 1.8 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 177.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.1 p -124.48 147.49 55.58 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.592 0.71 . . . . 0.0 111.058 158.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -61.93 -37.43 65.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.44 -38.67 90.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 178.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -78.34 -43.75 26.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.77 -39.5 85.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -172.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -61.47 -18.4 58.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.931 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -83.44 -23.11 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 177.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.3 m0 -87.25 -21.04 26.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 -170.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -72.4 156.5 39.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.903 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.43 3.22 55.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.083 -172.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.72 160.29 9.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.053 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 60.5 p -65.61 160.02 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -171.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -79.97 -4.87 54.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 179.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -104.71 -35.0 7.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 -170.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -130.12 30.39 4.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -56.47 120.46 7.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.833 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.1 m -122.83 87.76 2.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.177 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 97.7 m -135.16 133.48 39.17 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.11 171.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -137.92 139.8 39.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.42 137.71 48.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -126.5 126.42 43.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.213 171.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.5 t -131.68 126.17 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -93.37 108.58 20.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.09 84.0 7.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.899 -169.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -165.19 156.96 15.04 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 178.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -61.01 119.66 8.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 169.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.54 -8.29 78.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 -175.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.36 152.51 48.23 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -177.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.05 150.71 21.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.011 -177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -144.77 158.82 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 173.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.7 p -153.39 154.89 35.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.4 t -137.13 126.07 24.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -103.9 113.0 26.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.962 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.1 mtt -120.27 134.92 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -138.84 153.95 48.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.97 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.12 151.81 46.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -55.95 -34.36 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -175.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.3 p30 -91.07 -0.34 57.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.67 21.65 76.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.44 172.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.3 p -85.23 -20.62 29.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.927 0.394 . . . . 0.0 110.905 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -160.0 163.9 33.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 -174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.65 169.66 42.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.475 175.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -132.23 140.78 48.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.69 117.78 35.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -105.95 137.56 43.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.56 145.28 34.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.038 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.27 168.95 34.22 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.426 176.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 m -136.19 143.34 44.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.3 m-85 -75.58 140.35 42.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.969 177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.0 p -114.2 -28.85 7.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.122 -178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -153.88 134.36 13.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.944 179.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 80.6 t -138.24 124.66 26.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.9 t -125.91 99.08 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.05 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 52.99 29.83 8.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 58.07 23.32 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -108.14 -42.48 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.99 124.45 29.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 174.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 93.0 mt -134.82 127.07 48.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 -173.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -122.08 135.31 54.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.46 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 48.5 p90 -150.94 166.42 30.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.926 -173.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.7 133.13 55.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -119.54 98.08 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -174.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.94 -124.47 23.55 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.438 -176.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -89.88 6.73 40.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.862 0.363 . . . . 0.0 110.913 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.422 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 83.4 mtm180 -119.3 175.21 5.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.8 p -127.26 156.24 42.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -151.14 147.47 27.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -138.61 131.46 29.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -175.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.28 135.14 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.158 -176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -126.31 142.61 51.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -116.23 121.04 40.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -114.28 128.01 56.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -175.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -83.44 121.19 26.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -112.42 159.28 34.61 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.504 0.668 . . . . 0.0 111.126 176.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.456 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.3 Cg_endo -63.87 -29.01 67.46 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 177.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.28 -24.87 15.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -175.28 -163.94 29.06 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.46 -175.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.26 129.7 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.92 0.391 . . . . 0.0 111.122 173.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.9 m -101.44 129.96 47.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 58.2 t -109.82 124.32 66.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -115.9 120.65 39.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.2 t -121.85 124.04 70.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.148 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 30.1 t -123.95 129.01 50.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.1 p90 -142.14 159.02 43.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -171.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.422 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 93.1 t -77.39 135.81 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.137 175.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.72 42.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 177.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -76.46 128.46 34.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.9 p -69.01 -25.93 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -75.15 -14.45 60.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.951 -178.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -126.08 147.13 58.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.705 0.764 . . . . 0.0 110.887 -177.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.05 141.34 79.52 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.341 176.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.6 p -54.28 -33.53 25.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 176.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -67.58 -39.24 84.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -65.4 -41.77 93.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 -175.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.36 -43.44 66.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.7 -49.79 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -69.57 -40.95 76.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.43 -48.65 71.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.463 -176.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -72.32 -31.22 65.49 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.754 0.312 . . . . 0.0 110.949 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.65 -39.88 95.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.73 -35.05 78.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.68 -43.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 mp -66.01 -35.2 79.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.946 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -66.05 -38.85 89.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 176.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -67.05 -35.94 80.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.69 -47.78 84.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.855 171.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.93 -50.24 74.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.4 -34.35 77.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -62.22 -44.26 96.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.25 -43.94 97.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.195 174.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.02 -33.49 74.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.6 p -74.61 -20.41 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -100.74 -9.03 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.9 mt -128.6 35.27 4.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.961 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.59 124.26 16.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.962 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -99.94 -52.47 3.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.864 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.787 -175.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.74 0.305 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -110.3 124.66 52.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 88.1 mt -110.4 127.76 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.148 176.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.3 m -121.83 130.93 53.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.9 t -134.72 142.24 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -121.59 142.49 50.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 -178.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -140.54 128.8 22.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.2 m -102.06 126.69 49.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.074 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -123.24 147.85 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.28 65.41 9.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.001 178.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.86 148.56 52.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 111.107 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -63.66 138.51 64.66 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.2 p -54.2 -33.4 25.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.148 -166.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.72 97.34 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.456 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -71.91 -30.8 65.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.795 0.331 . . . . 0.0 110.91 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.0 t -59.9 -55.16 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 -170.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -73.73 -26.98 60.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.954 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.32 -45.0 81.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.06 -22.95 44.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.147 178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -58.9 -32.67 69.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -175.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 66.3 p -123.59 71.22 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.123 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.5 p -122.88 156.02 62.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.582 0.706 . . . . 0.0 111.123 169.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -61.43 -28.4 83.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.607 2.205 . . . . 0.0 112.328 174.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -70.15 -43.16 71.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 173.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.38 -45.01 70.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -176.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.9 tp -57.73 -28.85 33.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -58.37 -27.8 64.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.971 174.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -85.09 -4.99 59.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -88.88 16.1 7.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -129.34 149.09 51.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -173.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.47 -3.04 51.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.28 173.3 2.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.06 178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.9 p -65.56 160.18 22.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -173.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -83.89 -8.85 59.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.847 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -113.07 -38.15 4.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -166.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -120.42 41.35 3.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.974 -173.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -117.43 128.22 54.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.829 -178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.9 m -119.06 120.01 35.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -132.95 128.62 36.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 169.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.86 132.42 51.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.51 133.9 46.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.5 m -122.64 125.97 46.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.214 169.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -132.37 123.92 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.092 -171.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -102.49 106.29 16.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 167.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.9 mt -82.85 89.52 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -173.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -164.84 158.79 17.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.11 118.1 5.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 171.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.02 -6.08 82.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.466 -178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.04 158.65 52.21 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.48 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.69 152.09 24.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.34 . . . . 0.0 111.105 -177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -142.88 156.88 45.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 171.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.0 t -151.46 142.48 23.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.6 t -131.89 125.09 30.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.784 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -114.98 125.39 53.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.887 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.3 ttp -113.54 132.92 55.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.827 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -129.02 146.24 51.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.903 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.12 146.28 49.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -57.6 -29.3 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.917 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -95.08 -0.06 53.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.81 -176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 69.1 21.93 75.77 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.473 172.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.9 p -86.64 -24.54 25.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.989 0.424 . . . . 0.0 110.939 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.96 164.4 33.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.49 168.99 42.12 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.472 174.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.26 148.11 52.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.851 0.358 . . . . 0.0 110.884 -179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -118.9 118.64 32.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -113.36 139.0 49.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.97 147.76 46.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.32 167.65 33.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 175.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 84.9 m -134.49 138.92 45.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 111.093 -179.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -76.87 139.9 40.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 66.3 p -111.76 -25.14 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.144 -178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.86 133.01 8.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.76 126.95 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.117 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -124.33 100.75 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 52.29 29.66 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 57.79 22.4 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -106.19 -39.66 5.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -129.15 118.35 22.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 174.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -129.74 123.02 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.163 -172.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -121.0 134.75 55.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.866 174.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -150.49 168.48 24.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -173.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.38 132.26 56.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.075 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -122.49 106.09 10.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -173.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.76 -126.09 29.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -171.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 -97.02 11.13 37.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.865 174.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.4 mtm105 -119.06 170.46 9.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 81.0 p -124.08 153.14 41.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.81 149.28 30.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.03 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -136.46 129.76 31.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.7 t -121.58 131.42 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.152 -178.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.14 143.61 51.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -117.13 130.81 56.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -177.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.5 tp -118.08 123.85 46.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -90.13 117.09 28.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.537 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -109.79 161.99 22.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.62 0.724 . . . . 0.0 111.052 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.537 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.4 Cg_endo -66.82 -26.78 44.54 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -97.81 -25.67 14.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -173.31 -171.68 38.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.427 -178.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.4 t -122.27 131.57 72.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.917 0.389 . . . . 0.0 111.056 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.3 m -106.68 133.54 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.19 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.68 127.92 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.163 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -114.35 123.06 48.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -120.42 123.06 69.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.197 -177.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.6 t -125.95 123.04 37.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.67 159.23 42.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -170.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.89 133.58 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.176 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.84 133.18 47.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -62.56 129.68 41.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.848 175.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 82.7 p -73.64 -26.15 60.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.42 -20.39 64.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -125.27 151.9 70.32 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.71 0.767 . . . . 0.0 110.941 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -65.72 145.68 81.86 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.78 2.32 . . . . 0.0 112.271 177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 9.4 p -52.66 -33.45 18.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.48 -43.38 97.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.81 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.96 -41.39 95.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 -176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.26 -42.66 68.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -59.04 -50.29 74.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -71.41 -40.88 70.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -178.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.87 -48.82 67.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.514 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 73.8 m95 -70.98 -31.07 67.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.676 0.274 . . . . 0.0 110.891 -178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -62.72 -41.71 99.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 170.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.76 -34.22 77.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.02 -46.06 92.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 177.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.1 -32.0 73.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -64.35 -38.54 91.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 173.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -67.09 -37.46 83.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.79 175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -60.47 -44.78 95.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 173.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -57.66 -47.89 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 176.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 -34.89 79.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 17.9 t-160 -62.46 -44.22 96.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.46 -45.04 94.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 173.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.78 -31.78 72.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -75.09 -20.61 59.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 -174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.6 -11.57 19.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.3 mt -124.77 35.21 4.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -55.11 130.02 40.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -81.5 -64.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.814 -173.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 175.659 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mtp . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.719 0.295 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 73.4 m-80 -106.61 128.52 54.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 177.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.1 mt -111.54 129.67 66.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 92.2 m -122.67 132.74 54.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 -178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.9 t -132.32 139.98 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.188 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -122.77 137.03 55.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.916 -175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.4 m -138.57 134.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 -177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 96.2 m -111.32 124.76 52.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.41 148.38 32.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.6 68.01 8.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.34 144.5 31.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 111.129 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -51.9 140.28 48.74 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.739 2.293 . . . . 0.0 112.343 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.42 -43.61 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -174.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.03 -40.96 92.17 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.5 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -71.82 -36.42 70.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.05 -55.77 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 -174.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -66.26 -35.34 80.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -176.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -69.08 -43.08 75.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 -178.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.55 -19.73 60.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.101 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -53.73 -40.13 65.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.3 m -130.82 75.03 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.169 175.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -124.13 129.01 24.89 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-O 121.506 0.669 . . . . 0.0 111.134 172.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . 83.2 Cg_exo -52.26 -50.13 15.04 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.676 2.251 . . . . 0.0 112.357 -178.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -58.59 -36.78 74.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -178.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -71.05 -38.33 72.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -64.67 -33.92 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.209 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.429 ' HG2' ' HB ' ' A' ' 39' ' ' THR . 99.1 mttt -50.38 -32.95 18.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.94 178.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.6 -23.35 34.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.9 m0 -84.62 -19.07 33.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -173.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -57.07 133.09 54.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.905 171.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.13 -15.95 64.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -176.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.12 167.27 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.738 ' O ' ' HB3' ' A' ' 37' ' ' HIS . 86.3 p -65.29 161.29 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -171.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -77.81 -4.52 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -111.95 -37.01 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -171.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -128.7 32.39 4.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.928 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.738 ' HB3' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -72.87 129.35 37.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 177.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 56' ' ' GLU . 97.8 m -109.7 101.17 10.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.229 174.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.429 ' HB ' ' HG2' ' A' ' 27' ' ' LYS . 93.1 m -127.71 134.39 49.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.101 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -133.59 123.21 24.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.071 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 23' ' ' PRO . . . -139.79 146.33 39.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -176.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.6 m -131.2 130.01 42.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 172.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 75.8 t -132.68 125.36 52.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 -170.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -104.44 108.88 20.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.791 166.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.23 91.63 8.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -173.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.8 ptt85 -167.04 158.24 12.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 177.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -60.18 117.66 5.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 170.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.75 -11.32 72.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.553 -175.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.71 150.55 41.58 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -178.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.81 153.04 20.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 111.025 -175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 56.1 p90 -144.04 156.39 44.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 173.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.2 t -151.8 141.13 21.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -136.28 125.1 24.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 -178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -113.22 129.67 56.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.913 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.2 mtt -118.17 138.0 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 56.7 mm-40 -130.17 151.01 51.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.04 149.66 48.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.082 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -58.07 -29.85 65.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.8 p30 -95.1 -0.98 52.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.795 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.34 21.15 77.28 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 172.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 99.2 p -83.3 -22.29 33.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.945 0.403 . . . . 0.0 110.857 -177.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.1 ptp -156.34 164.77 37.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -176.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.52 168.27 39.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.426 172.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -134.98 148.47 50.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.902 -175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -115.57 120.64 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.792 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -115.28 141.13 48.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.09 147.37 46.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.072 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.35 167.55 33.47 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.486 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -138.51 142.48 39.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 111.119 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -80.84 138.36 36.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 69.5 p -114.45 -26.44 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.201 -174.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -155.11 135.29 13.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.8 t -139.48 125.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.039 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 60.7 t -125.26 99.2 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 -175.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 53.58 31.45 12.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 166.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 59.65 21.95 10.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -111.69 -40.19 4.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -134.3 126.36 29.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 84.1 mt -135.06 126.73 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.75 135.52 55.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 177.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 50.5 p90 -150.12 166.52 29.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.959 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.77 131.14 57.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.149 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -119.07 100.0 7.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -172.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.48 -127.68 23.64 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.402 -174.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -92.73 11.82 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.907 0.384 . . . . 0.0 110.912 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -120.07 175.74 5.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 178.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.4 p -128.39 154.34 46.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 176.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.97 146.82 27.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 70.6 tttt -137.45 130.26 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -176.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -123.02 134.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.196 -174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -124.05 144.6 49.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -119.49 126.68 51.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.7 mt -116.91 132.45 56.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -83.77 120.44 26.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 175.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -111.21 159.03 34.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.025 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 42.3 Cg_endo -64.14 -28.98 65.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 176.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -95.9 -22.42 17.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -177.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -178.94 -164.46 31.73 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.412 -175.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.2 t -119.35 129.74 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 111.084 174.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.5 m -105.41 133.9 49.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.168 -174.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.0 p -119.04 127.19 75.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.153 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.66 125.62 49.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 80.2 t -120.39 126.99 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.133 -175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.7 t -123.06 127.73 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 55.8 p90 -140.54 158.17 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -170.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.4 t -74.05 133.17 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.22 133.83 45.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -71.88 126.34 29.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 81.5 p -68.6 -26.81 65.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -177.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -74.58 -17.75 60.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -124.89 152.1 69.49 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 -178.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 144.2 69.04 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.663 2.242 . . . . 0.0 112.338 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -56.57 -44.16 80.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 176.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.69 -36.94 85.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -64.97 -41.16 95.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.921 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -70.62 -42.02 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.21 -48.66 75.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.979 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.49 -40.15 73.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -47.63 79.97 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 -176.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -72.4 -33.02 66.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.685 0.279 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -62.06 -39.4 92.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.874 170.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.18 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.009 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.06 -45.05 95.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 176.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.57 -33.64 76.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.999 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -65.27 -38.02 88.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.969 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.93 -39.26 93.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 174.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -59.83 -47.24 86.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -58.74 -51.59 69.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.846 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.67 -34.89 79.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.902 -178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -63.82 -41.81 97.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.75 176.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.87 -45.74 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.72 -35.94 71.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.859 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 92.0 p -75.77 -20.97 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -176.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 45.8 m170 -105.23 -12.97 15.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.887 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -115.14 41.89 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.45 129.52 40.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -84.99 -64.01 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.772 -178.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 175.601 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 99.0 mmm . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.806 0.336 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -75.71 137.43 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.437 HG21 ' HA ' ' A' ' 117' ' ' GLN . 4.9 mp -98.01 128.92 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -165.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.6 m -121.15 132.0 54.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 171.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.3 m -134.47 156.35 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.178 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -142.21 140.0 32.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 84.2 m -136.13 135.2 39.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.085 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 98.6 m -110.12 120.09 41.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -112.03 128.34 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -175.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.98 73.64 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.133 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -154.73 161.3 29.71 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.028 -177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.509 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 37.6 Cg_endo -62.93 148.61 93.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.683 2.255 . . . . 0.0 112.35 177.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 69.5 t -57.04 -50.27 76.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.097 -166.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.58 -39.81 97.87 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.444 -176.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -66.07 -41.07 91.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -177.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 77.0 t -66.21 -46.47 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -64.8 -41.42 95.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -65.09 -40.45 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.62 -25.04 62.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -52.48 -51.1 61.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 -175.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.8 m -134.38 83.9 2.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.5 m -133.49 128.4 20.12 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.521 0.677 . . . . 0.0 111.149 162.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -53.93 -43.2 60.28 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 -177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -62.8 -35.12 78.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -74.29 -42.4 59.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.896 -173.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 pt -65.08 -21.71 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.72 -20.96 66.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.967 178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -55.81 -35.76 66.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 23.0 p-90 -118.97 9.9 12.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -165.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 41.5 p30 -93.88 -168.01 1.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 171.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 67.93 77.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.11 173.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.18 45.84 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.075 175.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.1 p -95.03 -165.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 171.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -68.64 -3.31 11.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 173.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -96.37 -23.25 16.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 172.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.6 m95 56.46 36.26 27.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.965 -178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -128.31 152.38 48.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.836 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -110.7 137.92 47.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 166.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 81.1 p -127.73 146.56 50.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 -168.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.33 137.07 15.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 168.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.43 145.29 50.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.013 -170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -132.89 122.11 23.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.169 163.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.02 136.54 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -170.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.51 105.62 15.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 164.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -85.64 89.17 7.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -169.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -164.63 154.99 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -59.63 120.2 9.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.01 -13.5 66.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.429 -177.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -76.5 158.28 48.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.495 -177.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.34 153.22 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.849 0.357 . . . . 0.0 111.041 -178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -142.03 153.58 44.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.1 t -148.03 141.36 25.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.792 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.7 t -142.16 124.42 15.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -99.86 128.86 45.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 -175.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 60.5 ttm -119.85 130.09 54.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.0 mm-40 -130.46 148.62 52.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -177.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.48 142.91 56.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -55.87 -35.77 66.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.9 p30 -85.95 -2.2 58.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.51 19.2 77.61 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.464 170.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 87.9 p -83.03 -23.08 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.893 0.377 . . . . 0.0 110.864 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.05 164.83 32.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.12 171.98 44.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.394 173.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -135.97 143.91 45.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.879 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -101.31 119.9 39.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 175.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -106.79 112.0 24.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.89 150.67 48.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 -174.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.61 175.0 36.53 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.399 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 86.7 m -130.74 137.93 49.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.881 0.372 . . . . 0.0 111.134 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -78.14 142.87 37.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -174.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.3 p -115.11 -25.04 8.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.202 176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -155.66 134.61 12.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -141.07 123.51 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.0 98.89 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.089 -177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 51.82 34.07 12.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 165.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 58.58 19.78 6.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -113.49 -31.26 6.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -134.51 120.72 20.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 78.3 mt -136.33 115.01 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 -173.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -125.06 136.65 53.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -151.06 169.23 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.97 -171.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.83 133.21 56.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.082 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -116.84 95.32 4.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -175.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.91 -118.98 9.31 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 50.4 p-10 -98.8 20.92 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.851 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -132.12 173.97 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.966 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.8 p -131.6 159.65 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -149.2 151.93 35.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.54 131.25 37.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.7 t -118.93 131.88 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.13 178.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -126.5 144.86 50.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -117.24 127.56 54.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 177.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 54.0 tp -114.29 127.28 55.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 177.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -82.69 120.02 25.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -116.4 154.45 48.93 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.585 0.707 . . . . 0.0 111.089 177.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -64.07 -26.31 65.76 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.633 2.222 . . . . 0.0 112.397 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -91.45 -25.82 19.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 174.94 -167.94 40.33 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -176.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 89.2 t -103.1 123.74 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.883 0.373 . . . . 0.0 111.104 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 m -96.86 124.11 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 53.9 t -114.85 122.05 68.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 ttm180 -117.05 124.53 49.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -175.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.8 t -122.98 123.74 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.7 t -132.8 126.23 31.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -142.36 159.09 42.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.816 -172.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.2 t -83.23 137.66 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.132 -175.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -60.94 123.41 17.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -178.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -90.9 142.91 27.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 80.0 m -65.02 -37.4 87.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.78 -28.38 61.63 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -175.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.45 115.96 44.21 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -53.41 146.94 39.27 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.757 2.304 . . . . 0.0 112.262 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 59.7 t -53.58 -45.7 59.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.26 -40.24 95.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 -179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -65.8 -38.5 89.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -74.17 -41.11 61.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.001 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.437 ' HA ' HG21 ' A' ' 3' ' ' ILE . 66.9 tt0 -57.75 -49.96 74.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.976 -179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -72.08 -43.34 65.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.888 -178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.47 -52.03 38.24 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.477 -173.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -70.65 -32.95 70.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.953 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -63.7 -43.09 97.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 174.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.14 -37.41 85.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.051 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 91.6 mt -65.95 -45.01 92.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.57 -40.46 97.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -66.56 -33.06 74.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.951 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -62.29 -35.39 78.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 178.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -57.35 -40.65 78.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -65.64 -40.48 92.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 174.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.28 -35.26 71.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.806 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -63.4 -47.86 80.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.411 HG11 ' HB2' ' A' ' 11' ' ' ALA . 60.2 t -59.97 -45.45 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.21 179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.14 -38.88 87.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.0 p -71.42 -18.8 62.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -119.26 14.0 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -176.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.6 tp -151.98 118.63 5.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 175.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 58.11 36.32 25.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -83.84 -4.65 58.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.82 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 178.72 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 ttt . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.807 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -97.42 121.74 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CD1' ' HB2' ' A' ' 107' ' ' ALA . 5.1 mp -110.54 129.76 65.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 175.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -124.45 137.91 54.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.125 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.27 156.96 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -141.46 138.8 33.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.87 -174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 96.8 m -141.53 137.37 31.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 80.7 m -114.06 125.02 53.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.163 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 65.1 t -118.74 133.08 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -174.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.43 72.49 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.061 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB2' HG11 ' A' ' 131' ' ' VAL . . . -149.52 157.87 38.44 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.588 0.709 . . . . 0.0 111.051 -178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -52.83 145.88 38.22 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.694 2.262 . . . . 0.0 112.359 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.456 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.4 t -57.25 -49.52 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.066 -171.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.14 -41.1 99.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.516 -177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -39.57 92.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.873 -177.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 63.2 t -67.64 -48.33 76.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 46.6 m0 -66.41 -41.97 88.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -175.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -67.37 -38.97 85.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.32 -21.02 60.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.022 -177.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.6 t80 -49.03 -49.42 41.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.9 m -132.37 83.02 2.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 175.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.4 m -127.92 128.46 23.82 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.55 0.691 . . . . 0.0 111.11 166.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -52.95 -46.14 35.96 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.601 2.2 . . . . 0.0 112.402 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -59.22 -34.2 71.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -74.54 -44.64 50.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.829 -175.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.3 pt -67.59 -22.71 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.187 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -60.44 -24.0 64.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 175.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -58.07 -39.22 77.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -120.88 -2.12 9.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -164.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 38.7 p30 -91.29 -165.4 1.35 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 171.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 67.54 72.66 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.105 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.48 52.69 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.045 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 80.9 p -95.01 -166.9 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.805 173.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.38 -15.14 47.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -80.55 -10.53 59.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 176.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.6 m0 59.4 16.34 5.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.964 176.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -136.66 150.0 48.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 30' ' ' ASN . 92.8 m -107.67 140.7 40.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.131 169.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.2 m -124.46 127.82 48.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.181 -166.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.47 128.58 45.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 172.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -123.35 132.2 53.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 -176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.4 m -124.96 129.18 49.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 167.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.6 p -135.59 131.15 50.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -165.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -110.38 105.35 14.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.888 162.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.4 mt -84.8 84.53 7.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -173.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -165.11 161.62 19.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.07 114.42 2.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.23 -2.53 65.7 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.435 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -78.41 145.74 29.53 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.523 -175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.78 147.23 26.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 111.073 -177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 171.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.8 t -141.01 136.41 32.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.832 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.1 t -135.27 126.09 27.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 176.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -107.0 121.83 45.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.861 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.5 ttp -113.3 127.92 56.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.88 174.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -129.86 145.96 51.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.876 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.5 144.51 56.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.03 174.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -58.47 -34.09 70.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -175.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -88.22 -0.98 57.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.16 19.61 77.44 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -82.14 -22.16 36.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.935 0.398 . . . . 0.0 110.912 -177.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -160.02 164.93 32.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.15 171.82 44.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.434 173.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -132.19 140.25 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.859 0.362 . . . . 0.0 110.945 -177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -100.58 119.37 38.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.779 174.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -107.97 136.62 47.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -177.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.1 145.44 41.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.04 170.22 34.29 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.408 178.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.7 m -134.87 139.28 44.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 111.163 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -83.35 137.22 34.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.5 p -110.32 -21.89 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.176 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -154.69 132.71 11.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 74.0 t -141.34 122.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.192 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.7 t -131.65 101.26 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 -176.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 52.17 34.95 15.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.812 164.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 56.42 22.57 6.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -114.02 -40.9 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.949 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.89 122.03 27.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.5 mt -136.43 121.77 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.072 -174.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.87 133.66 52.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.885 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -154.53 173.03 16.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 -172.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.85 127.98 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.148 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -114.7 96.75 5.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -170.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.26 -128.24 24.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.555 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -89.36 16.01 8.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.85 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -134.62 -179.99 5.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.4 p -127.23 158.05 38.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -154.74 151.49 28.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.143 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.91 131.84 31.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.898 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.3 t -114.41 130.82 68.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.082 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -124.32 144.42 50.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -117.19 128.14 54.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.99 127.79 56.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.955 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -84.02 120.03 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.819 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.53 155.46 47.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.585 0.707 . . . . 0.0 111.154 177.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.13 -26.54 72.95 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 122.718 2.279 . . . . 0.0 112.328 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.39 -25.07 17.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.949 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.479 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.16 -169.36 41.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.529 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 13' ' ' VAL . 83.1 t -107.91 123.53 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.371 . . . . 0.0 111.176 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 52.6 m -101.17 130.33 47.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.253 -176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.9 t -115.77 124.05 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.217 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -117.74 125.86 51.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -176.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.8 t -121.31 123.87 70.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.9 t -123.55 130.48 52.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -139.79 155.9 47.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.2 t -88.78 138.29 19.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 175.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.485 ' HB2' ' CD1' ' A' ' 3' ' ' ILE . . . -65.18 131.3 46.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.034 -176.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -100.28 144.33 29.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -66.69 -37.52 84.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -75.67 -28.96 58.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -174.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -111.57 121.37 40.24 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.58 0.705 . . . . 0.0 110.98 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -52.79 142.98 49.72 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.26 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 67.3 t -55.4 -46.7 78.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.01 -37.78 88.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 178.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -64.58 -40.46 95.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -73.55 -43.03 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.953 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -57.14 -48.67 78.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.922 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -68.91 -38.51 79.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.71 -48.95 66.89 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 -178.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 70.5 m95 -66.57 -35.64 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.672 0.272 . . . . 0.0 110.926 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -65.11 -41.7 94.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 174.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.09 82.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.047 178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 87.3 mt -62.49 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.177 177.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.34 -40.2 93.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.861 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -64.92 -36.68 85.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -65.44 -40.38 93.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.962 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -61.13 -41.91 97.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -61.98 -46.81 87.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -65.08 -35.78 82.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.25 -46.5 88.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.542 HG11 ' HB2' ' A' ' 11' ' ' ALA . 54.1 t -60.69 -45.78 97.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.98 -35.5 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.3 p -74.93 -19.88 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 -177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -120.01 8.41 11.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.804 -176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.1 tp -149.6 120.98 7.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 59.16 35.15 23.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.961 -178.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -83.53 -2.23 55.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.933 175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.882 179.214 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 98.9 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -79.49 141.4 36.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -105.27 127.32 60.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 -165.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.7 m -119.96 135.03 55.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 177.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 85.2 t -129.27 140.45 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.224 176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -137.58 135.66 36.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -175.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.0 p -138.37 141.19 39.66 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.072 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.3 m -115.49 130.06 56.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -177.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.9 148.31 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 -176.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.45 64.65 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.037 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -143.47 144.94 29.77 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.687 0.756 . . . . 0.0 111.043 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -64.86 149.95 88.83 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.659 2.24 . . . . 0.0 112.442 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.22 -35.0 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.023 -171.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.89 -44.0 98.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 176.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -66.3 -44.72 82.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.884 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.47 -47.56 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 -178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -62.75 -44.25 96.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -175.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.5 -45.97 77.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.825 -179.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.21 -20.89 54.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.019 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -46.45 -49.53 18.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 m -135.04 79.99 1.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 173.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 92.1 m -119.21 126.81 26.83 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.573 0.701 . . . . 0.0 111.175 166.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -70.45 -34.13 12.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.567 2.178 . . . . 0.0 112.332 -173.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -64.94 -38.04 89.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.941 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -74.11 -40.8 62.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -171.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.8 pt -64.29 -18.26 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.176 -175.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.12 -20.3 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -62.45 -37.84 87.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 63.3 p-90 -121.7 -1.3 9.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -163.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 38' ' ' THR . 47.1 p30 -93.0 -167.74 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 174.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 67.04 62.34 0.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.3 53.65 2.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.4 p -80.63 -175.77 5.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 170.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.54 -30.1 69.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.86 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -75.2 -4.02 36.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 49.7 m0 59.03 22.06 10.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.001 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -116.31 128.63 55.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.781 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 30' ' ' ASN . 80.8 m -111.57 128.17 55.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 168.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -122.91 136.43 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.195 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.31 132.83 50.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.168 169.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -124.31 136.28 53.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.12 -173.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 89.2 m -132.13 127.13 35.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.17 169.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.3 133.09 49.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.154 -170.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -94.81 106.75 18.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 163.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.2 mt -82.2 79.78 8.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -169.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -165.31 154.41 12.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 174.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.44 124.21 19.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.89 174.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.35 70.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.402 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.4 158.97 40.35 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -176.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.56 150.98 22.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.892 0.377 . . . . 0.0 111.062 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -147.78 160.4 42.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 174.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.6 p -152.11 151.73 31.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.3 t -145.22 126.91 15.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.797 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -112.46 126.47 55.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.911 -176.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 65.9 ttp -118.71 132.68 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -129.48 149.06 51.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -175.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.94 152.06 38.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.044 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -55.49 -40.32 71.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -88.37 -0.46 57.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -177.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 68.34 20.03 73.02 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.374 172.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 88.4 p -80.31 -25.08 39.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.3 ptm -154.88 163.71 39.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.88 169.73 42.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.468 170.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -116.62 134.48 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.3 110.66 22.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 172.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 18.7 m-30 -108.64 138.17 45.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 -177.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.59 156.37 44.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.052 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.7 157.64 28.6 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 90.4 m -124.35 134.66 53.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.764 0.316 . . . . 0.0 111.09 167.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -75.49 137.5 40.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 -168.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 71.7 p -114.36 -24.03 9.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.217 176.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -156.23 132.45 9.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 90.5 t -138.98 123.44 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.2 t -127.91 101.05 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.059 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 52.07 32.94 11.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 168.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 58.37 19.03 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.873 176.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -109.05 -40.13 5.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -176.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.63 116.04 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 173.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 92.3 mt -131.56 127.35 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 -173.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -124.2 137.16 54.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -145.67 164.93 30.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.932 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.44 138.47 50.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.34 90.85 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 178.091 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.71 -117.94 7.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.546 178.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -97.1 15.51 22.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.75 0.309 . . . . 0.0 110.832 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -134.1 174.12 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 67.5 p -130.85 159.56 37.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.88 155.0 36.23 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.151 177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -139.24 135.05 33.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.929 -175.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 103' ' ' VAL . 62.0 t -115.27 128.59 72.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -124.94 145.81 49.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -178.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.97 129.91 55.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 176.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.1 tp -113.26 126.51 55.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 175.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -86.16 120.48 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -113.76 158.34 39.25 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.627 0.727 . . . . 0.0 111.089 176.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.432 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 39.2 Cg_endo -64.07 -26.81 65.58 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 177.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -96.11 -27.07 15.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.506 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . -177.84 -169.11 38.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.46 -177.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.65 131.54 67.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 111.076 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.5 m -106.29 130.44 54.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 6.9 p -116.96 129.01 74.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -120.51 127.09 51.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.409 HG22 HG22 ' A' ' 90' ' ' VAL . 60.4 t -120.51 122.21 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 177.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 33.9 t -131.68 132.8 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -177.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -137.51 155.37 49.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.92 139.23 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 -175.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 1' ' ' MET . . . -70.07 140.21 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.052 -175.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -86.36 149.33 25.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 178.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.9 m -79.12 -40.53 30.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.177 -178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -77.82 -24.32 48.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -174.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.447 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 95.0 m-85 -110.94 136.41 20.77 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.6 0.714 . . . . 0.0 110.944 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 76.2 Cg_exo -55.43 140.88 82.92 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 -177.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.38 -45.82 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -39.15 92.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -65.57 -44.21 87.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.978 -176.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.529 ' HA ' ' OE1' ' A' ' 116' ' ' GLN . 9.0 mm-40 -74.64 -34.63 62.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.003 179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.883 173.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.61 -43.13 90.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.81 -46.66 88.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -70.95 -37.51 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.69 0.281 . . . . 0.0 110.95 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.42 -41.49 96.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.958 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.77 92.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.022 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 13.6 tt -75.32 -32.77 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.12 -175.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.8 -36.77 73.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.974 176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -66.33 -34.99 79.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 172.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -64.61 -35.35 80.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 171.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' ' 130' ' ' HIS . 18.9 m-30 -70.69 -30.26 66.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 176.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -63.47 -44.77 93.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.994 170.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.44 -31.43 72.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.483 ' HB3' ' O ' ' A' ' 127' ' ' PHE . 64.5 t60 -55.37 -51.67 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.55 -44.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 178.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.23 -34.43 75.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.4 p -72.4 -16.9 61.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -113.95 7.28 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 135' ' ' LEU . 3.2 tm? -142.36 110.27 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 53.05 42.0 32.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -82.28 -8.27 59.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.85 174.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 178.9 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -97.78 120.4 38.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.837 177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.0 mt -109.67 126.28 66.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -122.57 134.18 54.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 -175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.8 t -132.18 140.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.236 176.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -123.44 146.39 48.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.954 -173.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -145.27 138.87 26.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 177.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 93.6 m -115.81 127.77 55.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.146 -175.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.0 t -113.99 128.64 70.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 -177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.7 69.98 10.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.079 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.95 159.76 31.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.588 0.708 . . . . 0.0 111.075 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -54.18 144.52 58.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.754 2.302 . . . . 0.0 112.318 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.421 ' HA ' HG21 ' A' ' 99' ' ' VAL . 67.7 t -56.81 -47.49 82.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.104 -174.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.71 99.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.456 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.12 -40.25 90.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 69.0 t -64.65 -46.74 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.2 m0 -66.41 -42.55 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -176.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.77 -43.62 79.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 -179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.04 -17.49 60.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.001 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 70.7 t80 -49.5 -46.33 48.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.989 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.0 p -133.16 74.28 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 173.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -113.49 127.2 27.1 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.521 0.677 . . . . 0.0 111.127 167.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.18 -40.24 27.09 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.32 -176.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -60.7 -34.94 75.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.962 175.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -72.08 -35.68 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.907 175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.418 HD13 ' HB3' ' A' ' 41' ' ' ALA . 86.9 mt -64.78 -39.71 86.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.114 177.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.36 -25.6 64.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.06 -31.68 72.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -170.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 44.3 p-90 -123.38 -4.94 8.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 -168.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.476 ' HB2' ' H ' ' A' ' 39' ' ' THR . 28.2 p-10 -92.82 -166.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 173.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 32' ' ' ALA . . . 57.33 72.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 31' ' ' ALA . . . 64.97 71.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.013 -174.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 87.3 p -61.31 -176.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 170.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.45 -38.63 71.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 173.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -81.64 5.76 17.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 172.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.8 m95 65.36 28.44 11.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.941 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -105.56 140.87 37.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.835 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.0 m -113.94 130.64 56.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 -175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.476 ' H ' ' HB2' ' A' ' 30' ' ' ASN . 89.0 m -127.68 121.38 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.192 178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.36 134.31 55.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.151 176.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.418 ' HB3' HD13 ' A' ' 26' ' ' ILE . . . -128.22 137.48 52.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.014 -175.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.3 m -126.87 125.51 41.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 166.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -131.71 127.05 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.144 -171.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -94.67 104.97 16.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -83.76 80.04 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -164.33 157.7 17.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 175.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.06 123.1 15.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.29 -7.16 78.36 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.507 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.23 157.3 40.63 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.479 -176.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.91 151.25 21.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 111.028 -179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -141.24 155.1 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 173.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.2 t -151.49 143.48 23.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.7 t -137.98 126.56 23.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -110.04 123.65 50.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 66.4 mtt -112.59 134.05 54.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -127.71 145.09 51.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.8 155.65 35.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.093 177.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.9 pttt -58.13 -35.05 70.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 -172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.24 -0.96 57.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 67.22 20.86 71.59 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.495 174.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.9 p -85.52 -20.72 29.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.881 -178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -157.34 164.25 37.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -171.67 170.95 43.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.448 173.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -121.7 137.97 54.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -106.51 115.78 30.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -104.08 131.27 51.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.16 144.79 31.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -159.22 168.75 35.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.408 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.2 m -131.73 139.08 48.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.744 0.307 . . . . 0.0 111.182 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -78.39 142.63 37.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.9 p -115.0 -23.18 9.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.193 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -160.08 133.85 7.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 84.2 t -139.77 123.71 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.5 t -129.67 100.55 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.057 -177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 50.06 35.06 9.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.793 165.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 59.02 19.59 7.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 175.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -112.21 -38.31 4.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -177.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -128.36 121.12 28.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.5 mt -130.84 121.29 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -116.81 136.59 52.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.839 171.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.7 p90 -149.89 164.91 34.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.982 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.71 133.2 55.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.147 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -115.8 95.61 5.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.908 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.93 -121.99 15.39 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.556 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -94.0 15.33 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 0.0 110.881 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -134.05 174.44 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -133.15 159.22 40.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 -177.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.33 155.13 37.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -134.94 133.68 39.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 64.1 t -114.21 128.99 70.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.062 175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.35 144.42 50.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.894 -177.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -119.6 133.97 55.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.804 178.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.0 pp -137.3 145.25 43.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.961 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -89.7 116.28 27.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.481 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -99.02 159.85 29.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.422 0.629 . . . . 0.0 111.234 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.481 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.9 Cg_endo -62.97 -29.39 75.73 Favored 'Trans proline' 0 N--CA 1.466 -0.115 0 C-N-CA 122.721 2.281 . . . . 0.0 112.352 177.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -90.3 -27.46 19.42 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.436 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.33 -166.65 37.3 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 -177.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG21 ' HA ' ' A' ' 13' ' ' VAL . 94.5 t -100.07 121.67 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.952 0.406 . . . . 0.0 111.06 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.0 m -103.53 129.93 50.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.185 -174.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.2 t -115.77 126.32 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -177.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -112.02 123.8 51.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -178.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.4 t -121.06 120.89 63.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.097 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.0 t -126.52 132.25 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -138.5 158.51 44.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.5 t -93.16 135.98 26.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.13 176.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.06 154.16 35.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -79.08 154.19 29.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.4 m -79.9 -36.58 36.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.124 175.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.16 -15.1 61.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.959 -175.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.67 145.31 49.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.681 0.753 . . . . 0.0 110.929 178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -65.4 142.95 74.54 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.25 -31.51 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 -176.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.09 -43.44 92.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -67.43 -40.5 85.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.948 -177.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -67.65 -42.26 82.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.952 177.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -57.89 -51.02 71.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -69.85 -42.5 73.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -66.28 -50.31 51.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.532 -174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -70.48 -33.74 71.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -64.63 -39.67 94.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.957 174.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.89 85.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 176.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 94.4 mt -65.23 -45.38 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.15 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.9 -34.97 77.68 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 178.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -64.97 -38.21 90.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -62.34 -40.84 97.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 173.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -62.26 -39.09 91.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 177.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.23 -45.39 93.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.947 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -65.27 -33.76 76.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -66.03 -40.62 91.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 62.9 t -64.06 -40.0 87.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.16 172.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -56.58 -36.03 68.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -67.23 -17.56 64.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -105.01 -2.88 23.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.832 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.7 tp -142.81 114.89 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -171.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 56.07 38.97 30.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -85.08 -10.25 57.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.816 175.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 177.847 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.818 0.342 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -100.11 120.5 39.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.835 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 80.7 mt -103.46 127.82 57.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 174.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 93.2 m -121.03 132.49 54.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -132.15 139.91 49.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.208 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -124.71 136.08 53.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 95.1 m -136.61 133.86 36.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 95.3 m -114.95 125.54 53.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.05 -178.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 54.3 t -120.59 133.27 67.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.113 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.17 72.18 10.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.022 -177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.81 160.99 30.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.622 0.725 . . . . 0.0 111.036 -176.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.02 144.98 54.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.266 . . . . 0.0 112.381 174.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.92 -34.38 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.049 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.97 -45.99 94.99 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -66.74 -44.28 81.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.354 . . . . 0.0 110.864 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.18 -45.9 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.149 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 45.7 m0 -65.93 -43.65 87.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.96 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.99 -35.04 79.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.39 -23.19 66.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.996 -176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -59.22 -41.73 89.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 -174.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.1 p -135.05 70.95 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 95.0 m -124.68 117.53 26.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.52 0.676 . . . . 0.0 111.23 164.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -53.99 -46.48 33.29 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.662 2.241 . . . . 0.0 112.414 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -59.94 -34.55 73.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -69.7 -37.01 76.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.2 mt -66.32 -40.12 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.74 -24.78 65.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -175.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -48.43 -31.03 5.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 176.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -107.34 -2.33 20.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -166.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.9 p30 -93.94 -168.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 68.24 73.56 0.29 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.071 173.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 62.66 46.12 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.046 175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 90.9 p -86.86 -178.77 6.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 166.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.83 -36.97 70.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -172.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 52.5 p30 -77.84 -8.52 58.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 -178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 56.2 m95 54.93 36.16 26.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -115.29 144.79 43.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 176.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 98.2 m -105.77 134.9 48.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 172.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 90.6 m -130.27 135.46 48.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.183 -169.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -139.8 137.46 35.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.107 173.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.88 146.05 51.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.048 -173.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.9 m -132.71 126.38 32.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.209 165.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -128.9 125.6 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -173.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -90.96 112.19 23.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 169.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 96.0 mt -85.62 79.31 9.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.1 ptt180 -165.95 157.23 13.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.964 175.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.91 124.01 19.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.835 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.11 -8.89 78.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.435 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -72.0 152.57 48.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.556 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.01 152.68 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.075 -178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -144.86 157.29 44.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 172.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.7 p -151.68 152.08 32.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 45.8 t -141.67 126.02 17.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.831 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -107.17 126.12 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.4 mtp -119.22 133.8 55.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 177.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -132.09 150.3 52.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.6 141.19 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.009 172.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -52.76 -38.53 61.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 178.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.2 p30 -85.01 -0.79 55.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.06 19.6 77.31 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.439 169.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.1 p -83.8 -26.44 29.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.931 0.396 . . . . 0.0 110.915 -176.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.0 ptm -159.93 163.78 33.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.834 -174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -173.22 169.51 42.64 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -132.0 137.57 47.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.832 0.349 . . . . 0.0 110.933 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -103.08 120.08 40.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.13 137.52 45.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.68 145.03 33.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.041 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.19 171.03 35.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.476 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.8 m -138.48 144.03 39.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.727 0.299 . . . . 0.0 111.127 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -77.93 143.96 37.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 56.2 p -115.06 -26.42 7.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.189 177.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.62 134.44 11.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.94 179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.3 t -141.45 123.32 13.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.211 177.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.1 t -132.3 98.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 -178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 52.43 30.74 8.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 165.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 58.84 21.08 8.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.936 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.79 -39.98 4.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -130.22 119.95 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.89 174.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -136.88 125.83 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.11 -174.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -121.97 136.56 54.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.914 174.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -150.77 166.48 30.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.984 -175.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.09 139.14 54.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 45.4 p90 -129.68 114.9 16.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -177.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.84 -131.61 28.6 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.531 -177.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -95.48 23.93 5.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.766 0.317 . . . . 0.0 110.826 172.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -133.06 171.99 13.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 58.1 p -132.16 156.14 46.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 -177.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -148.69 154.03 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.106 178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -139.3 133.61 31.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.804 176.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -120.94 134.99 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -119.26 144.09 46.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -119.96 133.66 55.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.1 pp -136.58 143.18 43.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 174.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -94.12 119.36 32.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 175.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -101.72 160.12 27.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.534 0.683 . . . . 0.0 111.167 175.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 37.6 Cg_endo -63.1 -28.62 74.1 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.768 2.312 . . . . 0.0 112.283 177.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -91.55 -25.85 19.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 177.5 -170.2 42.59 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.51 -176.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.1 t -106.23 124.31 61.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 111.139 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 65.8 m -106.76 131.66 53.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.11 126.21 74.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -177.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.0 ttm180 -116.58 122.93 46.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -175.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.6 127.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.221 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 37.9 t -127.04 128.1 45.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -142.39 160.53 40.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -173.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.7 t -91.51 135.18 27.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.15 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.66 145.53 45.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.088 -173.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -77.76 155.3 31.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.0 m -81.5 -37.27 28.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.125 174.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.66 -20.07 54.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 87.3 m-85 -115.67 137.54 23.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.645 0.736 . . . . 0.0 110.893 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 62.0 Cg_exo -55.0 143.78 71.55 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 65.3 t -56.72 -45.53 82.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.96 -37.4 87.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.8 -39.9 95.34 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.881 -177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -73.06 -39.67 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -56.15 -48.18 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.989 177.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -72.13 -41.22 67.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -178.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.95 -45.97 90.75 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 -176.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -68.83 -38.16 79.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.671 0.272 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -62.53 -40.04 95.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.76 -35.42 79.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.059 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 92.4 mt -65.04 -45.07 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.26 -37.72 88.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -64.99 -36.23 83.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.12 -41.01 99.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -62.9 -42.89 99.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.804 176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.94 -50.78 70.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -67.89 -34.94 77.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -64.09 -46.98 81.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.46 -41.21 91.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.201 175.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -58.59 -38.43 77.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.0 p -73.3 -10.84 60.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -107.38 1.71 23.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -178.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 65.8 tp -149.73 119.2 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.834 -176.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 57.2 36.81 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.967 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -86.37 -1.59 57.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.864 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 179.164 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.0 mmm . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -100.09 120.02 39.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 77.0 mt -102.83 128.86 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 175.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 95.0 m -121.15 132.8 55.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 178.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.8 m -132.11 157.03 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.159 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 71.0 tt0 -141.84 136.69 30.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 93.1 m -140.91 133.87 29.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 82.1 m -112.05 125.65 54.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.46 131.08 71.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -175.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -84.79 75.79 10.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.978 -177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . . . -156.91 157.44 30.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.624 0.726 . . . . 0.0 111.013 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.74 145.72 59.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.718 2.279 . . . . 0.0 112.329 176.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.76 -36.39 60.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 -175.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.93 96.37 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 176.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -67.81 -42.95 80.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.822 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 11' ' ' ALA . 71.0 t -67.61 -49.74 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.057 -178.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' ASN . 46.9 m0 -65.21 -42.28 93.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.982 -174.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.25 -41.12 86.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.834 178.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.1 60.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.995 -178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -47.85 -55.05 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -177.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 37.1 m -135.53 86.45 2.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 175.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.0 m -127.63 129.64 23.78 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-O 121.552 0.691 . . . . 0.0 111.166 166.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.29 -46.28 33.91 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.278 . . . . 0.0 112.283 -178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -60.23 -35.66 75.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -71.55 -36.59 71.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.0 mt -62.83 -37.22 78.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.37 -25.09 63.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -57.86 -40.56 80.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.971 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -122.53 -1.28 9.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -164.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' HB2' ' H ' ' A' ' 39' ' ' THR . 33.4 p-10 -88.89 -165.05 1.24 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 174.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 68.2 74.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 176.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 61.41 59.75 1.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.977 173.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.7 p -75.02 -172.67 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.825 170.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -59.05 -32.36 69.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 -176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -74.27 -0.73 17.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.4 m95 60.34 30.04 19.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 174.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -127.6 145.83 50.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.821 173.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 65.8 m -105.75 139.96 39.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.472 ' H ' ' HB2' ' A' ' 30' ' ' ASN . 94.3 m -122.55 116.4 23.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.178 -169.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.53 134.4 54.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.197 177.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.58 138.52 46.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.074 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 90.2 m -127.88 122.03 31.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 168.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 51' ' ' PHE . 6.5 m -130.78 135.67 59.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.156 -170.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -100.51 107.86 19.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 164.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.7 mt -83.93 88.33 7.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -169.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.9 ptt85 -165.57 157.13 14.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.806 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -60.28 119.2 7.47 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 173.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.45 -8.39 79.93 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.494 -177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.79 152.01 43.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.87 152.36 18.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 0.0 111.057 -176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.438 ' HB2' HG12 ' A' ' 43' ' ' VAL . 54.6 p90 -144.77 158.32 43.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 174.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.4 p -149.83 152.15 34.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 47.3 t -142.23 130.88 22.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -113.16 126.15 55.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 67.9 ttp -115.32 129.9 56.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -130.06 148.0 51.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.35 145.2 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.078 174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -54.03 -39.03 65.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -88.08 -0.06 56.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.892 -176.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.09 21.09 76.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 173.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 92.5 p -82.22 -24.99 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.996 0.427 . . . . 0.0 110.982 -177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.4 ptm -158.14 163.99 37.04 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.877 -175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -178.18 169.06 40.67 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -130.47 140.28 50.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -105.7 120.96 43.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.82 175.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -111.52 137.64 49.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -177.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.49 144.93 40.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.26 171.07 35.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.442 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 78.9 m -134.97 142.0 46.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.761 0.315 . . . . 0.0 111.171 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -77.51 143.01 38.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.974 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 70.7 p -113.4 -25.02 9.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.198 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -157.15 135.52 11.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.862 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.7 t -140.96 122.44 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.161 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.8 t -132.65 101.15 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.067 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 50.85 33.33 8.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 165.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.424 ' HB3' ' HB3' ' A' ' 17' ' ' TRP . 78.5 m-20 56.34 20.75 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.888 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -114.79 -36.14 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.882 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -130.27 119.15 22.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 171.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.428 ' HB ' HG13 ' A' ' 90' ' ' VAL . 90.0 mt -137.44 128.91 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.127 -176.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -123.38 135.21 54.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -145.02 162.14 37.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.35 137.32 54.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.126 177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CD2' ' O ' ' A' ' 83' ' ' PHE . 48.7 p90 -128.39 115.08 17.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.892 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.66 -129.81 27.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.514 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -97.63 26.25 5.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 172.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.3 mmt-85 -133.24 170.34 15.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.965 -179.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -132.38 156.7 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 -177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -152.16 154.96 36.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -138.26 132.06 31.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 176.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.428 HG13 ' HB ' ' A' ' 79' ' ' ILE . 5.0 p -117.96 134.81 60.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.035 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -124.05 146.05 48.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -116.34 123.35 47.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -178.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.19 128.3 56.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.941 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -85.42 118.11 24.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -115.91 157.71 44.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.6 0.714 . . . . 0.0 111.139 178.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.41 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -63.8 -27.01 67.64 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.688 2.258 . . . . 0.0 112.291 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.14 -26.34 17.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 176.7 -167.74 39.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.533 -176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -109.6 124.85 66.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.899 0.381 . . . . 0.0 111.137 177.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 53.7 m -102.32 128.68 48.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 -176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 60.6 t -115.56 122.35 69.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -121.17 127.47 51.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.825 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -122.75 129.99 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -178.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 46.6 t -123.24 126.89 47.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 173.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -144.51 159.33 42.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.818 -171.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -90.37 135.02 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.67 144.91 47.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.036 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -83.51 124.59 30.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 99.9 m -61.56 -30.03 70.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.191 -173.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -71.52 -18.31 62.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.934 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -121.44 151.31 56.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.609 0.718 . . . . 0.0 110.978 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -65.86 146.81 84.19 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 178.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.35 -42.19 56.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.1 -45.06 87.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -177.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -65.21 -40.46 94.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.924 -174.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -68.36 -40.41 81.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.944 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -59.48 -47.69 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 175.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.44 -34.97 79.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.34 -50.59 63.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.439 -177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -70.24 -34.49 72.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.665 0.269 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.37 -40.16 96.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 174.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.38 -35.53 81.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.58 -46.15 95.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.69 -37.0 85.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.857 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -65.05 -37.11 86.52 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -63.31 -40.98 98.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -65.12 -43.52 91.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -64.17 -50.12 69.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.917 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -64.93 -32.71 74.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.808 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -60.09 -47.42 85.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.788 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.43 -42.79 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.182 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.16 -36.65 78.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.5 p -75.58 -18.9 59.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.898 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -109.95 7.2 23.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 66.7 tp -152.26 118.2 5.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 58.4 36.74 25.64 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -84.32 -4.38 58.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 178.247 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.9 mmm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -80.05 141.75 35.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 4.9 mp -107.77 129.38 61.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 -166.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 86.8 m -121.09 134.33 55.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.151 173.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 87.1 t -130.32 139.97 50.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -130.53 135.27 47.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 -172.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.9 p -136.08 136.4 40.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.088 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 84.6 m -116.6 129.54 56.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 -178.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.0 t -125.18 133.7 68.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.3 76.28 9.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.006 -175.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -147.83 157.29 44.05 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.603 0.716 . . . . 0.0 110.979 -176.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.33 144.09 62.32 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 174.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.48 -35.3 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -176.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 -39.17 80.45 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.52 175.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -64.96 -47.77 76.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.888 -174.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.468 HG21 ' HB ' ' A' ' 99' ' ' VAL . 67.1 t -63.98 -46.73 93.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.199 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.6 m0 -66.78 -46.79 74.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.63 -41.69 87.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -177.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.93 -12.82 59.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.039 -176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -44.88 -49.78 10.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -168.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 m -132.98 88.8 2.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -123.38 126.76 25.79 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.53 0.681 . . . . 0.0 111.196 169.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -70.69 -36.65 8.01 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.661 2.241 . . . . 0.0 112.351 -172.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.07 -37.94 89.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -73.8 -40.84 63.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -171.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.9 pt -62.25 -20.61 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.64 -21.92 63.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -178.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -63.35 -38.39 90.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -173.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 57.1 p-90 -121.85 -3.44 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.965 -164.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.44 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 43.4 p30 -94.61 -163.96 1.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.965 174.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 30' ' ' ASN . . . 68.01 63.98 0.38 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 -178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 60.7 56.55 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.128 174.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 91.8 p -73.56 -172.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 169.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.93 -42.2 71.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -170.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 p30 -75.05 -4.6 39.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 23.4 m95 62.9 30.15 16.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 174.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -117.31 139.61 50.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 172.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -113.22 135.99 53.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.174 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -120.01 128.59 53.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.99 134.03 55.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.117 171.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.63 129.03 47.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -174.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 91.9 m -130.26 130.8 45.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 170.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.7 p -136.16 135.31 50.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.228 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -96.21 108.01 20.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 163.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.6 77.23 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -169.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -166.77 155.31 10.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.51 123.72 19.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.41 -3.72 66.3 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.448 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -81.9 161.89 42.35 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.427 -175.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.11 145.0 25.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.061 177.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -131.92 143.4 50.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.5 t -150.41 131.54 14.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.6 t -133.01 126.07 31.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -113.3 119.73 38.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -174.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.2 ttt -111.68 130.01 55.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -131.72 149.35 52.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -172.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.0 145.7 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.106 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -51.59 -38.18 53.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -88.31 -0.97 57.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.897 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 65.97 19.47 67.78 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.502 172.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 97.3 p -82.97 -26.13 31.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -178.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 28.1 ptm -155.49 163.6 39.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.95 173.89 46.55 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.435 170.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -114.94 141.6 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.936 -177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -116.64 115.49 25.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 175.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -110.58 125.99 53.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.33 154.99 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.032 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.26 160.55 34.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.461 175.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 92.4 m -119.77 135.38 54.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.212 167.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -75.96 137.31 40.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -168.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.2 p -112.48 -22.18 10.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.146 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -155.18 132.61 11.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.7 t -139.61 122.21 17.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -128.92 101.55 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 -177.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 51.47 33.57 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 165.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 59.74 18.42 7.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 175.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -109.77 -40.89 4.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.987 -177.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -129.7 117.84 20.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.7 mt -132.49 125.43 53.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.081 -175.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -127.16 136.93 52.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -147.02 164.51 32.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.991 -178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.53 136.74 52.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -177.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' C ' ' CD1' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -120.46 91.65 3.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.47 -117.93 8.76 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.575 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -97.04 15.19 23.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.893 178.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -133.79 174.22 10.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.1 p -130.87 158.82 39.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -150.03 147.2 27.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 176.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -134.68 131.39 37.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.935 -173.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -112.54 127.49 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -122.61 144.7 48.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -118.63 132.73 56.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.7 mt -124.54 136.38 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 173.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -91.91 114.52 27.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -101.07 159.76 28.56 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.589 0.709 . . . . 0.0 111.136 172.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 36.7 Cg_endo -62.83 -28.17 75.64 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.648 2.232 . . . . 0.0 112.374 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -93.19 -28.35 16.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -178.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.494 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 179.6 -171.43 43.11 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.524 -176.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' VAL . 95.3 t -101.87 127.68 55.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.144 179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 60.3 m -104.01 125.62 50.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.191 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.0 t -114.81 124.71 71.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.043 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -117.54 124.66 49.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.8 t -123.57 124.25 69.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.3 t -130.58 132.78 45.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 50.0 p90 -139.15 156.6 47.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -178.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 70.3 t -86.36 135.97 23.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.162 -176.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.3 139.24 52.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.015 -173.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -80.11 148.1 31.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -40.07 36.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.204 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -77.63 -22.32 50.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -174.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -113.26 136.74 21.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.669 0.747 . . . . 0.0 110.951 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -55.09 143.85 72.13 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.625 2.216 . . . . 0.0 112.342 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.07 -45.02 80.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.61 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -72.53 -39.64 67.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.966 176.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -55.22 -48.88 73.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.959 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -69.99 -43.56 71.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.04 -46.01 90.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.534 -177.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -69.06 -36.24 77.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.625 0.25 . . . . 0.0 110.933 179.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -63.96 -40.96 97.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.927 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.49 96.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 11.2 tp -73.86 -33.07 36.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.73 -34.47 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 174.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.85 -36.42 84.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.94 174.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -63.03 -39.64 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.913 172.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -67.94 -36.1 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -62.54 -48.19 80.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.945 174.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -68.72 -25.15 64.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -57.54 -56.01 27.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.795 -175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 69.1 t -65.91 -41.85 90.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.126 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -60.68 -38.08 83.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -174.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -64.9 -18.72 65.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.873 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -103.13 13.68 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 11' ' ' ALA . 83.4 mt -106.76 135.51 48.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 176.047 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 47.93 38.69 9.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -75.95 -22.54 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.865 168.843 . . . . . . . . 0 0 . 1 stop_ save_